UCSF

ZINC65534462

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: 2-[(4-chlorobenzyl)amino]-1-butanol 2-[(4-chlorobenzyl)amino]-1-butanol

Find On: PubMed — Wikipedia — Google

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) 1.70 6.74 -29.59 3 6 1 69 296.354 3 ↓
Mid Mid (pH 6-8) 1.70 6.09 -12.15 2 6 0 68 295.346 3 ↓
Mid Mid (pH 6-8) 1.70 7.17 -38.96 3 6 1 72 296.354 3 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.