UCSF

ZINC20048042

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 21 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 6.56 -37.24 3 4 1 46 296.479 7
Hi High (pH 8-9.5) 2.80 4.47 -7.38 2 4 0 44 295.471 7
Mid Mid (pH 6-8) 2.80 7.96 -106.89 4 4 2 50 297.487 7
Mid Mid (pH 6-8) 2.80 5.76 -44.05 3 4 1 49 296.479 7

Activity (Go SEA)

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