UCSF

ZINC00397394

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 2-(Pyridin-4-yl)propan-2-ol 2-(Pyridin-4-yl)propan-2-ol

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CAS Numbers: 15031-78-4 , 22990-34-7 , [15031-78-4]

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) 0.80 1.52 -5.2 1 2 0 33 137.182 1 ↓
Lo Low (pH 4.5-6) 0.80 1.8 -33.7 2 2 1 34 138.19 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 136 TCI
MP 136° Matrix Scientific
BP 136°/25 Torr Matrix Scientific
BP 140 / 3 TCI
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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