UCSF

ZINC37859710

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 15 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) -0.44 1.44 -101.32 4 4 2 45 217.357 7
Mid Mid (pH 6-8) -0.43 2.5 -79.54 4 4 2 41 217.357 7
Mid Mid (pH 6-8) -0.44 3.91 -187.43 5 4 3 46 218.365 7
Mid Mid (pH 6-8) -0.44 -1.08 -38.83 3 4 1 43 216.349 7
Mid Mid (pH 6-8) -0.44 4.42 -102.67 4 4 2 49 217.357 7

Activity (Go SEA)

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