UCSF

ZINC35728217

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 15 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) -0.18 2.56 -96.97 5 4 2 65 215.341 6
Mid Mid (pH 6-8) -0.18 1.24 -47.69 4 4 1 60 214.333 6

Activity (Go SEA)

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