UCSF

ZINC17015577

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 26 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) 3.63 9.39 -56.97 0 4 -1 60 350.369 5
Mid Mid (pH 6-8) 3.05 10.1 -10.37 0 4 0 54 351.377 5
Mid Mid (pH 6-8) 4.08 8.33 -26.56 1 4 0 58 351.377 4

Activity (Go SEA)

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