UCSF

ZINC52882464

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 20 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) -1.63 1.94 -60.55 3 6 -1 107 277.3 3
Mid Mid (pH 6-8) -1.63 1.76 -88.33 4 6 0 108 278.308 3

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

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