UCSF

ZINC69457304

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 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) -0.08 1.45 -51.18 0 7 -1 91 331.348 7
Lo Low (pH 4.5-6) -0.26 2.7 -11.02 1 7 0 85 332.356 7
Lo Low (pH 4.5-6) -0.26 3.12 -14.67 1 7 0 85 332.356 7

Activity (Go SEA)

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

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