UCSF

ZINC00589956

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 4.07 -2.55 -15.93 3 6 0 90 402.479 5
Lo Low (pH 4.5-6) 4.07 -2.8 -85.36 5 6 2 92 404.495 5
Lo Low (pH 4.5-6) 4.07 -2.91 -32.42 4 6 1 91 403.487 5
Lo Low (pH 4.5-6) 4.07 -2.44 -44.67 4 6 1 91 403.487 5

Activity (Go SEA)

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