UCSF

ZINC43411196

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 1.39 3.95 -80.75 5 4 2 57 210.325 4
Hi High (pH 8-9.5) 1.39 1.3 -3.88 3 4 0 54 208.309 4
Hi High (pH 8-9.5) 1.39 3.45 -36.39 4 4 1 55 209.317 4
Hi High (pH 8-9.5) 1.39 1.59 -26.18 4 4 1 55 209.317 4

Activity (Go SEA)

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