UCSF

ZINC29550761

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 17 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) -0.27 3.91 -46.45 3 3 1 53 228.319 3
Hi High (pH 8-9.5) -0.27 3.71 -6.05 2 3 0 52 227.311 3
Lo Low (pH 4.5-6) -0.27 4.34 -117.66 4 3 2 55 229.327 3
Lo Low (pH 4.5-6) -0.27 4.34 -113.95 4 3 2 55 229.327 3

Activity (Go SEA)

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