UCSF

ZINC05839697

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 24 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) 3.77 10.25 -67.44 0 4 -1 70 329.416 4
Lo Low (pH 4.5-6) 3.77 8.42 -13.69 1 4 0 68 330.424 4

Activity (Go SEA)

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