UCSF

ZINC34179246

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 9 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) 0.45 -0.45 -35.88 4 2 1 48 130.211 0
Hi High (pH 8-9.5) 0.45 -0.87 -2.29 3 2 0 46 129.203 0

Activity (Go SEA)

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