UCSF

ZINC05008007

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 24 No

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) 2.58 -2.08 -20.26 1 10 0 147 353.312 6
Hi High (pH 8-9.5) 2.58 -1.52 -46.78 0 10 -1 149 352.304 6

Activity (Go SEA)

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