UCSF

ZINC36983665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 0.16 2.79 -51.49 1 8 -1 117 297.316 5
Mid Mid (pH 6-8) 0.16 2.81 -110.66 0 8 -2 119 296.308 5

Activity (Go SEA)

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