UCSF

ZINC43410410

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.41 4.97 -35.04 4 5 1 77 289.403 2
Mid Mid (pH 6-8) 1.41 6.07 -6.83 3 5 0 75 288.395 2
Lo Low (pH 4.5-6) 1.41 5.37 -90.18 5 5 2 78 290.411 2

Activity (Go SEA)

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