UCSF

ZINC12463130

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 25 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) 3.48 10.2 -55.22 3 4 1 55 338.475 9
Mid Mid (pH 6-8) 3.48 10.62 -103.2 4 4 2 56 339.483 9

Activity (Go SEA)

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