UCSF

ZINC43979254

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.06 5.87 -32.11 2 4 1 35 299.479 5
Hi High (pH 8-9.5) 3.06 5.46 -1.96 1 4 0 34 298.471 5
Hi High (pH 8-9.5) 3.06 5.84 -33.06 2 4 1 38 299.479 5

Activity (Go SEA)

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