UCSF

ZINC15011715

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 34 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) 6.22 13.33 -14.71 1 8 0 110 475.526 8
Ref Reference (pH 7) 5.73 12.79 -47.97 0 8 -1 108 474.518 9
Ref Reference (pH 7) 6.22 12.91 -14.46 1 8 0 110 475.526 8

Activity (Go SEA)

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