UCSF

ZINC44679490

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) -0.12 2.79 -82.49 4 4 2 42 227.352 4
Hi High (pH 8-9.5) -0.12 1.42 -30.96 3 4 1 38 226.344 4
Hi High (pH 8-9.5) -0.12 -0.97 -3.31 2 4 0 37 225.336 4
Hi High (pH 8-9.5) -0.12 0.4 -41.03 3 4 1 41 226.344 4
Mid Mid (pH 6-8) -0.12 4.03 -187.24 5 4 3 47 228.36 4

Activity (Go SEA)

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