UCSF

ZINC34577081

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) -0.85 1.59 -47.99 5 7 1 108 321.438 15
Mid Mid (pH 6-8) -0.85 1.93 -98.8 6 7 2 109 322.446 15

Activity (Go SEA)

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