UCSF

ZINC42742007

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) 2.34 5.72 -106.12 4 3 2 35 271.493 5
Hi High (pH 8-9.5) 2.34 7.17 -92.66 4 3 2 35 271.493 5
Hi High (pH 8-9.5) 2.34 5.07 -32.36 3 3 1 34 270.485 5
Lo Low (pH 4.5-6) 2.34 7.43 -210.55 5 3 3 37 272.501 5

Activity (Go SEA)

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