UCSF

ZINC43395694

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.08 6.97 -104.35 4 4 2 58 270.38 3
Mid Mid (pH 6-8) 1.08 6.56 -54.66 3 4 1 57 269.372 3
Lo Low (pH 4.5-6) 1.08 7.46 -172.52 5 4 3 59 271.388 3

Activity (Go SEA)

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