UCSF

ZINC40162523

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2010 18 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) 5.06 7.47 -37.97 2 2 1 20 255.47 4
Mid Mid (pH 6-8) 5.06 9.95 -113.11 3 2 2 21 256.478 4

Activity (Go SEA)

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