UCSF

ZINC08591461

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 37 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) 4.75 14.53 -25.54 0 9 0 108 496.523 6
Mid Mid (pH 6-8) 0.84 16.27 -27.52 1 9 1 107 497.531 7

Activity (Go SEA)

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