UCSF

ZINC38002959

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 3.56 5.52 -5.51 1 3 0 38 306.225 5
Mid Mid (pH 6-8) 3.56 6.42 -37.68 2 3 1 43 307.233 5

Activity (Go SEA)

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