UCSF

ZINC32070569

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 18 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) 2.18 4.14 -44.45 3 3 1 40 314.247 4
Mid Mid (pH 6-8) 2.18 6.44 -113.84 4 3 2 41 315.255 4

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

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