UCSF

ZINC37374303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 15 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) -0.23 5.65 -29.97 1 4 0 48 214.309 5
Hi High (pH 8-9.5) -0.23 3.84 -46.37 0 4 -1 47 213.301 5
Hi High (pH 8-9.5) -0.23 5.71 -56.65 1 4 0 48 214.309 5

Activity (Go SEA)

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