UCSF

ZINC14807992

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 19 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) 2.56 5.17 -8.54 3 4 0 68 276.723 4
Lo Low (pH 4.5-6) 2.56 4.91 -35.49 4 4 1 69 277.731 4
Lo Low (pH 4.5-6) 2.56 5 -33.73 4 4 1 69 277.731 4

Activity (Go SEA)

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