UCSF

ZINC43983672

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 2.40 3.85 -38.92 2 3 1 29 269.331 7
Mid Mid (pH 6-8) 2.40 5.67 -115.92 3 3 2 30 270.339 7
Mid Mid (pH 6-8) 2.40 4.79 -36.23 2 3 1 26 269.331 7

Activity (Go SEA)

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