UCSF

ZINC52544104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 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) 3.33 7.38 -105.22 3 3 2 24 273.509 10
Hi High (pH 8-9.5) 3.33 7.77 -32.37 2 3 1 20 272.501 10
Hi High (pH 8-9.5) 3.33 5.83 -31.95 2 3 1 23 272.501 10
Mid Mid (pH 6-8) 3.33 8.32 -95.74 3 3 2 24 273.509 10

Activity (Go SEA)

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