UCSF

ZINC20091164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 1.83 7.1 -44.39 2 3 1 34 248.325 4
Hi High (pH 8-9.5) 1.83 5.68 -9.73 1 3 0 30 247.317 4

Activity (Go SEA)

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