UCSF

ZINC44380930

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 14 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) 0.38 5.3 -109.73 3 3 2 34 195.31 6
Hi High (pH 8-9.5) 0.38 3.94 -33.79 2 3 1 29 194.302 6
Hi High (pH 8-9.5) 0.38 1.61 -4.71 1 3 0 28 193.294 6
Mid Mid (pH 6-8) 0.38 2.97 -38.08 2 3 1 33 194.302 6
Mid Mid (pH 6-8) 0.38 3.7 -82.32 3 3 2 34 195.31 6

Activity (Go SEA)

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