UCSF

ZINC37092713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.91 6.07 -35.93 3 3 1 40 249.378 5
Mid Mid (pH 6-8) 0.91 6.38 -122.94 4 3 2 41 250.386 5

Activity (Go SEA)

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