UCSF

ZINC43967168

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 0.23 2.96 -37.59 2 4 1 38 197.306 5
Hi High (pH 8-9.5) 0.23 1.24 -5.49 1 4 0 33 196.298 5
Lo Low (pH 4.5-6) 0.23 4.9 -115.11 3 4 2 39 198.314 5

Activity (Go SEA)

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