UCSF

ZINC40406421

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 23 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) 5.42 13.5 -50.11 1 3 1 22 336.931 10
Lo Low (pH 4.5-6) 5.42 13.96 -96.08 2 3 2 24 337.939 10

Activity (Go SEA)

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