UCSF

ZINC44727253

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 21 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) -0.56 0.87 -43.45 3 6 1 67 300.423 8
Mid Mid (pH 6-8) -0.56 2.95 -99.89 4 6 2 69 301.431 8

Activity (Go SEA)

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