UCSF

ZINC59817190

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.26 3.91 -53.78 2 9 -1 139 429.478 10
Hi High (pH 8-9.5) 3.44 1.53 -95.87 1 9 -2 146 428.47 10
Mid Mid (pH 6-8) 3.26 3.75 -24.18 3 9 0 137 430.486 10

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

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