UCSF

ZINC44683872

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.15 7.07 -34.5 2 2 1 16 235.326 4
Hi High (pH 8-9.5) 2.15 4.74 -3.23 1 2 0 15 234.318 4
Hi High (pH 8-9.5) 2.15 5.95 -44.22 2 2 1 20 235.326 4
Lo Low (pH 4.5-6) 2.15 8.28 -115.9 3 2 2 21 236.334 4

Activity (Go SEA)

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