UCSF

ZINC62977261

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 4.45 10.1 -51.97 1 6 0 56 449.571 6
Mid Mid (pH 6-8) 4.45 10.05 -11.22 0 6 0 55 448.563 6
Lo Low (pH 4.5-6) 4.45 13.03 -108.71 2 6 0 58 450.579 6

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

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