UCSF

ZINC49938243

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.25 7.46 -118.58 3 3 2 30 339.224 8
Hi High (pH 8-9.5) 3.25 3.75 -4.29 1 3 0 24 337.208 8
Mid Mid (pH 6-8) 3.25 6.08 -37.21 2 3 1 26 338.216 8
Mid Mid (pH 6-8) 3.25 5.15 -42.37 2 3 1 29 338.216 8

Activity (Go SEA)

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