UCSF

ZINC44737484

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 39 Yes

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) 1.18 7.53 -72.4 4 10 1 120 532.669 5
Lo Low (pH 4.5-6) 1.18 7.96 -121.73 5 10 2 121 533.677 5
Lo Low (pH 4.5-6) 1.18 8.29 -173.34 6 10 3 123 534.685 5

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