UCSF

ZINC56871244

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 29 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) -5.30 -11.95 -76.95 6 13 0 196 414.371 7
Mid Mid (pH 6-8) -5.30 -12.3 -62.76 5 13 -1 195 413.363 7

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

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