UCSF

ZINC50067815

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 16 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) -0.77 3.95 -52.77 2 6 1 84 228.272 8
Mid Mid (pH 6-8) -0.77 1.69 -16.63 1 6 0 82 227.264 8

Activity (Go SEA)

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