UCSF

ZINC05260679

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 18 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) 2.66 2.61 -36.12 3 6 1 103 261.334 2
Lo Low (pH 4.5-6) 2.66 2.25 -27.03 3 6 1 103 261.334 2
Lo Low (pH 4.5-6) 2.66 -2.07 -25.32 3 6 1 103 261.334 2

Activity (Go SEA)

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