UCSF

ZINC20146010

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 19 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) 2.39 7.37 -33.94 2 3 1 20 262.421 5
Mid Mid (pH 6-8) 2.39 6.35 -39.6 2 3 1 23 262.421 5

Activity (Go SEA)

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