UCSF

ZINC31555516

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 25 Yes

Popular Name: 3-Pyridinemethanol, 5-hydroxy-6-methyl-4-(2,3,4,9-tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-yl)-; BRN 0630805; LS-131732 3-Pyridinemethanol, 5-hydroxy-6-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.92 1.59 -25.33 4 6 0 94 339.395 3 ↓
Hi High (pH 8-9.5) 1.92 1.17 -45.44 3 6 -1 93 338.387 3 ↓
Mid Mid (pH 6-8) 1.92 0.41 -9.42 4 6 0 90 339.395 3 ↓
Lo Low (pH 4.5-6) 1.92 1.43 -46.83 5 6 1 95 340.403 3 ↓
Lo Low (pH 4.5-6) 1.92 2.61 -45.76 5 6 1 99 340.403 3 ↓

Activity (Go SEA)

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