UCSF

ZINC37232308

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 2.63 4.69 -3.81 1 3 0 24 262.397 6
Mid Mid (pH 6-8) 2.63 6.96 -36.83 2 3 1 26 263.405 6
Lo Low (pH 4.5-6) 2.63 8.07 -109.99 3 3 2 30 264.413 6

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

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