UCSF

ZINC34404655

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 10 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) 1.17 5.48 -44.62 1 2 1 28 139.222 0
Hi High (pH 8-9.5) 1.17 3.44 -4.41 0 2 0 27 138.214 0

Activity (Go SEA)

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