UCSF

ZINC42747436

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.65 6.4 -112.49 4 2 2 32 228.424 3
Hi High (pH 8-9.5) 2.65 4.72 -39.52 3 2 1 31 227.416 3
Hi High (pH 8-9.5) 2.65 6.34 -27.06 3 2 1 30 227.416 3

Activity (Go SEA)

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