UCSF

ZINC40771942

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 2.15 8.03 -129.46 3 5 2 51 299.459 6
Mid Mid (pH 6-8) 2.15 5.78 -48.58 2 5 1 49 298.451 6
Mid Mid (pH 6-8) 2.15 6.84 -40.47 2 5 1 46 298.451 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.