UCSF

ZINC43260521

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 29 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) 5.99 14.89 -48.62 0 4 -1 74 395.519 9
Lo Low (pH 4.5-6) 5.99 12.91 -9.67 1 4 0 71 396.527 9
Lo Low (pH 4.5-6) 5.99 13.02 -9.88 1 4 0 71 396.527 9

Activity (Go SEA)

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