UCSF

ZINC17835654

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 31 No

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) 2.50 9.73 -77.89 1 7 0 83 424.497 9
Mid Mid (pH 6-8) 1.92 11.46 -48.73 1 7 1 77 425.505 9

Activity (Go SEA)

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