UCSF

ZINC40094708

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 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) 4.28 7.8 -54.71 1 6 -1 90 477.306 7
Hi High (pH 8-9.5) 4.28 8.71 -111.19 0 6 -2 93 476.298 7
Lo Low (pH 4.5-6) 4.28 7.06 -14.76 2 6 0 87 478.314 7

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