UCSF

ZINC05694984

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 2.36 8.72 -9.94 2 7 0 87 378.432 6
Ref Reference (pH 7) 2.36 8.72 -9.93 2 7 0 87 378.432 6
Lo Low (pH 4.5-6) 2.36 8.83 -39.49 3 7 0 88 379.44 6
Lo Low (pH 4.5-6) 2.36 8.79 -42.13 3 7 0 88 379.44 6

Activity (Go SEA)

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