UCSF

ZINC42140079

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.09 0.74 -16.56 5 7 0 128 305.363 5
Hi High (pH 8-9.5) 1.55 -0.89 -62.54 4 7 -1 131 304.355 5

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

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