UCSF

ZINC09529186

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 21 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) 3.58 -1.58 -10.64 1 4 0 47 306.431 8
Mid Mid (pH 6-8) 3.58 -1.33 -29.65 2 4 1 48 307.439 8

Activity (Go SEA)

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