UCSF

ZINC69675511

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 22 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) 1.36 3.54 -40.91 0 7 -1 92 320.329 3
Lo Low (pH 4.5-6) 1.36 3.92 -14.81 1 7 0 90 321.337 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.