UCSF

ZINC42463151

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 2.48 3.55 -3.39 1 3 0 24 234.343 4
Mid Mid (pH 6-8) 2.48 5.66 -36.21 2 3 1 26 235.351 4

Activity (Go SEA)

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