UCSF

ZINC54896118

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 17 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) -1.28 0.93 -54.45 3 5 1 78 276.407 3
Mid Mid (pH 6-8) -1.28 0.59 -14.87 2 5 0 76 275.399 3

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

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