UCSF

ZINC52545261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 20 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) 3.61 6.55 -29.27 2 3 1 29 285.496 10
Hi High (pH 8-9.5) 3.61 5.39 -0.64 1 3 0 24 284.488 10
Hi High (pH 8-9.5) 3.61 8.18 -26.05 2 3 1 26 285.496 10
Mid Mid (pH 6-8) 3.61 7.99 -99.17 3 3 2 30 286.504 10

Activity (Go SEA)

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