UCSF

ZINC05764657

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 27 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) 4.48 11.08 -9.8 0 4 0 52 355.393 5
Lo Low (pH 4.5-6) 4.48 11.36 -41.88 1 4 1 54 356.401 5

Activity (Go SEA)

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