UCSF

ZINC34653329

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 0.74 3.91 -38.5 3 3 1 46 195.286 5
Hi High (pH 8-9.5) 0.92 1.45 -31.43 2 3 0 52 194.278 5
Hi High (pH 8-9.5) 0.74 2.75 -7.12 2 3 0 41 194.278 5

Activity (Go SEA)

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