UCSF

ZINC43405258

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.80 7.88 -99.67 4 3 2 45 261.413 3
Hi High (pH 8-9.5) 2.80 7.46 -48.97 3 3 1 44 260.405 3
Hi High (pH 8-9.5) 2.80 7.48 -21.6 3 3 1 43 260.405 3

Activity (Go SEA)

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