UCSF

ZINC05030156

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 30 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) -3.33 5.62 -31.42 4 9 1 127 405.438 5
Lo Low (pH 4.5-6) -3.33 6.06 -78.55 5 9 2 128 406.446 5

Activity (Go SEA)

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