UCSF

ZINC69667665

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 30 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) 2.16 6.11 -20.62 0 8 0 86 412.538 7
Mid Mid (pH 6-8) 2.16 7.8 -59.23 1 8 1 87 413.546 7

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

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