UCSF

ZINC43966694

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.96 8.67 -36.6 2 3 1 29 297.507 7
Mid Mid (pH 6-8) 3.96 10.03 -28.56 2 3 1 26 297.507 7

Activity (Go SEA)

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