UCSF

ZINC05587713

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 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) 3.72 10.14 -14.54 1 4 0 47 323.371 3
Lo Low (pH 4.5-6) 4.24 8.56 -34.28 2 4 1 52 324.379 3

Activity (Go SEA)

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