UCSF

ZINC20128919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 3.07 7.98 -35.45 2 2 1 16 287.349 7
Mid Mid (pH 6-8) 3.07 9.41 -113.31 3 2 2 21 288.357 7
Mid Mid (pH 6-8) 3.07 6.88 -47.2 2 2 1 20 287.349 7

Activity (Go SEA)

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