UCSF

ZINC35186244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 21 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) 2.48 1.78 -47.95 0 6 -1 80 327.769 5
Mid Mid (pH 6-8) 2.48 1.37 -13.5 1 6 0 78 328.777 5

Activity (Go SEA)

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