UCSF

ZINC03830350

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 33 No

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) 3.44 11.75 -117.74 4 7 2 74 453.631 8
Mid Mid (pH 6-8) 3.44 9.72 -47.98 3 7 1 73 452.623 8

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