UCSF

ZINC20054102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 15 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) -0.20 3.96 -39.32 2 4 1 37 214.333 6
Mid Mid (pH 6-8) -0.20 5.37 -103.05 3 4 2 41 215.341 6
Mid Mid (pH 6-8) -0.20 2.83 -41.69 2 4 1 40 214.333 6

Activity (Go SEA)

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