UCSF

ZINC34873483

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 16 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) 1.20 0.76 -37.36 4 3 1 57 228.287 5
Hi High (pH 8-9.5) 1.20 -0.54 -5.76 3 3 0 52 227.279 5

Activity (Go SEA)

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