UCSF

ZINC28826692

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 14 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) -1.65 -6.28 -37.99 5 5 1 85 204.246 1
Hi High (pH 8-9.5) -1.65 -5.59 -52.72 4 5 0 88 203.238 1

Activity (Go SEA)

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