UCSF

ZINC00102611

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

Popular Name: 3-Hydroxy-2-pyridinemethanol hydrochloride 3-Hydroxy-2-pyridinemethanol hyd…

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CAS Numbers: 14047-53-1 , 14173-30-9 , [14047-53-1] , [14173-30-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.22 -1.31 -22.38 2 3 0 57 125.127 1 ↓
Hi High (pH 8-9.5) 0.22 -2.01 -43.52 1 3 -1 56 124.119 1 ↓
Mid Mid (pH 6-8) 0.22 -2.78 -7.53 2 3 0 53 125.127 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if presen Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )