UCSF

ZINC39917224

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 4.49 13.26 -45.03 1 6 1 44 463.646 11
Mid Mid (pH 6-8) 4.49 14.13 -89.38 2 6 2 45 464.654 11
Mid Mid (pH 6-8) 4.49 13.16 -40.47 1 6 1 44 463.646 11
Mid Mid (pH 6-8) 4.49 10.9 -12.43 0 6 0 43 462.638 11

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