UCSF

ZINC65505425

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 18 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) 2.44 7.34 -32.37 2 3 1 33 244.362 4
Mid Mid (pH 6-8) 2.44 6.96 -7.32 1 3 0 32 243.354 4
Lo Low (pH 4.5-6) 2.44 8.7 -39.12 2 3 1 33 244.362 4

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

No pre-computed analogs available. Try a structural similarity search.