UCSF

ZINC43405291

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 3.44 8.97 -102.01 4 3 2 45 287.451 2
Hi High (pH 8-9.5) 3.44 8.54 -49.93 3 3 1 44 286.443 2
Hi High (pH 8-9.5) 3.44 8.55 -22.02 3 3 1 43 286.443 2

Activity (Go SEA)

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