UCSF

ZINC46671501

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 0.84 2.83 -15.52 4 7 0 97 376.501 8
Mid Mid (pH 6-8) 0.84 4.86 -50.97 5 7 1 98 377.509 8

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

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