UCSF

ZINC14500757

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 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) 4.25 10.61 -50.24 1 4 -1 77 335.464 13
Lo Low (pH 4.5-6) 4.57 8.83 -8.84 2 4 0 75 336.472 13
Lo Low (pH 4.5-6) 4.25 8.64 -10.75 2 4 0 75 336.472 13
Lo Low (pH 4.5-6) 4.25 8.77 -10.47 2 4 0 75 336.472 13

Activity (Go SEA)

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