UCSF

ZINC20577972

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 15 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) -1.19 0.5 -40.68 5 4 1 80 209.269 5
Hi High (pH 8-9.5) -1.19 0.17 -10.35 4 4 0 78 208.261 5

Activity (Go SEA)

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