UCSF

ZINC40830974

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) -0.76 -2.94 -52.76 5 6 1 107 266.368 6
Mid Mid (pH 6-8) -0.30 -5.24 -71.11 4 6 0 110 265.36 6

Activity (Go SEA)

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