UCSF

ZINC42946615

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 18 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) 0.81 0.8 -48.94 5 4 1 74 270.784 6
Mid Mid (pH 6-8) 0.81 2.07 -128.77 6 4 2 75 271.792 6

Activity (Go SEA)

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