UCSF

ZINC40406352

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 24 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) 4.56 13.74 -87.95 1 5 0 62 331.46 11
Mid Mid (pH 6-8) 4.56 14.23 -117.68 2 5 1 64 332.468 11

Activity (Go SEA)

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