UCSF

ZINC42742111

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 2.55 5.76 -108.46 4 3 2 35 271.493 6
Hi High (pH 8-9.5) 2.55 7.22 -91.07 4 3 2 35 271.493 6
Hi High (pH 8-9.5) 2.55 5 -35.02 3 3 1 34 270.485 6
Lo Low (pH 4.5-6) 2.55 7.08 -216.41 5 3 3 37 272.501 6

Activity (Go SEA)

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