UCSF

ZINC37039026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.65 5.15 -117.52 4 4 2 52 243.395 5
Mid Mid (pH 6-8) 0.65 3.93 -49.66 3 4 1 51 242.387 5

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