UCSF

ZINC43894139

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 16 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) 1.27 6.33 -112.8 3 3 2 34 223.364 6
Hi High (pH 8-9.5) 1.27 3.29 -3.41 1 3 0 28 221.348 6
Mid Mid (pH 6-8) 1.27 5.1 -38.38 2 3 1 29 222.356 6
Mid Mid (pH 6-8) 1.27 4.45 -38.8 2 3 1 33 222.356 6

Activity (Go SEA)

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