UCSF

ZINC05016060

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 28 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) 3.26 8.68 -14.52 1 6 0 62 379.46 4
Ref Reference (pH 7) 3.26 8.69 -14.46 1 6 0 62 379.46 4
Lo Low (pH 4.5-6) 3.26 9.32 -41.87 2 6 1 63 380.468 4
Lo Low (pH 4.5-6) 3.26 9.33 -42.02 2 6 1 63 380.468 4

Activity (Go SEA)

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