UCSF

ZINC25643664

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 32 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) 2.96 12.51 -18.36 1 7 0 78 423.476 7
Mid Mid (pH 6-8) 2.96 12.99 -46.92 2 7 1 79 424.484 7

Activity (Go SEA)

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