UCSF

ZINC37039171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.84 -0.89 -50.28 3 6 1 71 265.403 5
Mid Mid (pH 6-8) -0.84 1.03 -115.01 4 6 2 73 266.411 5

Activity (Go SEA)

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