UCSF

ZINC46503999

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 17 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) 1.66 6.54 -42.14 2 3 1 34 253.391 4
Mid Mid (pH 6-8) 1.66 4.37 -7.83 1 3 0 32 252.383 4

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