UCSF

ZINC08657129

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2007 23 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) 2.91 3.41 -11.2 2 6 0 88 327.365 3
Hi High (pH 8-9.5) 3.37 1.64 -43.98 1 6 -1 91 326.357 3
Lo Low (pH 4.5-6) 2.42 -3.18 -50.25 3 6 1 85 328.373 4

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