UCSF

ZINC44609310

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) -0.02 0.45 -35.94 4 4 1 68 213.33 5
Mid Mid (pH 6-8) -0.02 2.83 -102.45 5 4 2 69 214.338 5

Activity (Go SEA)

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