UCSF

ZINC45688134

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 0.20 2.73 -9.84 3 6 0 82 226.28 6
Mid Mid (pH 6-8) 0.20 2.84 -27.98 4 6 1 83 227.288 6

Activity (Go SEA)

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