UCSF

ZINC15953224

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 24 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) 1.88 2.32 -47.69 2 7 -1 126 343.34 3
Ref Reference (pH 7) 1.88 1.79 -45.29 2 7 -1 126 343.34 3
Lo Low (pH 4.5-6) 1.88 1.72 -18.41 3 7 0 123 344.348 3
Lo Low (pH 4.5-6) 1.36 3.47 -17.05 3 7 0 119 344.348 3
Lo Low (pH 4.5-6) 1.36 3.6 -16.77 3 7 0 119 344.348 3
Lo Low (pH 4.5-6) 1.88 0.74 -21.43 3 7 0 123 344.348 3

Activity (Go SEA)

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