UCSF

ZINC43895273

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 4.32 9.98 -33.27 2 2 1 16 285.455 6
Mid Mid (pH 6-8) 4.32 10.92 -123.3 3 2 2 21 286.463 6
Mid Mid (pH 6-8) 4.32 9.54 -37.8 2 2 1 20 285.455 6

Activity (Go SEA)

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