UCSF

ZINC40404149

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 19 Yes

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) 3.60 10.16 -48.27 1 3 1 22 280.823 5
Lo Low (pH 4.5-6) 3.60 10.62 -88.61 2 3 2 24 281.831 5

Activity (Go SEA)

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