UCSF

ZINC04123936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 27 Yes

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) 4.68 -1.7 -37.87 3 4 1 59 356.449 5
Lo Low (pH 4.5-6) 4.68 -1.51 -81.08 4 4 2 60 357.457 5

Activity (Go SEA)

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