UCSF

ZINC34824329

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 20 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) 2.71 10.46 -86.4 3 3 2 24 295.858 4
Hi High (pH 8-9.5) 2.71 8.44 -31 2 3 1 23 294.85 4

Activity (Go SEA)

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