UCSF

ZINC49392546

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 No

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) 1.22 2.34 -20.91 3 7 0 102 273.333 9
Hi High (pH 8-9.5) 0.66 1.39 -45.07 2 7 -1 109 272.325 10
Mid Mid (pH 6-8) 1.22 4.04 -53.56 4 7 1 103 274.341 9
Mid Mid (pH 6-8) 0.97 1.08 -46.08 4 7 1 104 274.341 10

Activity (Go SEA)

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