UCSF

ZINC42615594

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 16 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) 0.80 3.95 -87.57 4 3 2 35 227.396 5
Hi High (pH 8-9.5) 0.80 4.07 -118.63 4 3 2 35 227.396 5
Hi High (pH 8-9.5) 0.80 6.21 -90.58 4 3 2 35 227.396 5
Lo Low (pH 4.5-6) 0.80 6.31 -209.21 5 3 3 37 228.404 5

Activity (Go SEA)

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