UCSF

ZINC19733951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 19 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) 3.46 8.35 -9.4 2 3 0 43 251.333 1
Mid Mid (pH 6-8) 3.46 8.71 -25.41 3 3 1 45 252.341 1

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