UCSF

ZINC34960451

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 0.66 1.83 -49.35 4 4 1 60 242.387 9
Mid Mid (pH 6-8) 0.66 3.65 -31.95 4 4 1 60 242.387 9

Activity (Go SEA)

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