UCSF

ZINC67446605

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 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) -0.92 2.34 -14.44 2 8 0 99 302.338 4
Lo Low (pH 4.5-6) -0.92 2.8 -41 3 8 1 100 303.346 4

Activity (Go SEA)

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

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