UCSF

ZINC43252286

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 3.11 5.38 -43.28 3 2 1 31 273.853 6
Hi High (pH 8-9.5) 3.11 5.25 -1.42 2 2 0 29 272.845 6
Mid Mid (pH 6-8) 3.11 7.07 -32.93 3 2 1 30 273.853 6
Mid Mid (pH 6-8) 3.11 7.38 -104.62 4 2 2 32 274.861 6

Activity (Go SEA)

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