UCSF

ZINC35775217

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 14 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) -0.32 -0.71 -39.92 3 4 1 49 203.306 5
Mid Mid (pH 6-8) -0.32 1.49 -100.78 4 4 2 51 204.314 5

Activity (Go SEA)

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