UCSF

ZINC53148267

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.60 4.58 -5.72 3 3 0 51 233.702 3
Mid Mid (pH 6-8) 2.60 5.05 -29.56 4 3 1 52 234.71 3

Activity (Go SEA)

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