UCSF

ZINC42588006

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 3.55 5.37 -43.96 3 3 1 46 275.825 5
Mid Mid (pH 6-8) 3.55 4.16 -8.18 2 3 0 41 274.817 5

Activity (Go SEA)

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