UCSF

ZINC43252915

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 0.72 3.28 -48.55 3 4 1 51 290.84 6
Hi High (pH 8-9.5) 0.72 2.45 -7.6 2 4 0 50 289.832 6
Hi High (pH 8-9.5) 0.72 4.4 -31.15 3 4 1 51 290.84 6
Lo Low (pH 4.5-6) 0.72 4.74 -126.51 4 4 2 52 291.848 6

Activity (Go SEA)

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