UCSF

ZINC42450092

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.19 6.35 -118.77 4 3 2 45 226.364 6
Mid Mid (pH 6-8) 2.19 6.16 -34.79 3 3 1 44 225.356 6
Mid Mid (pH 6-8) 2.19 4.63 -39.27 3 3 1 44 225.356 6

Activity (Go SEA)

Rings

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