UCSF

ZINC20121523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 1.99 5.23 -46.1 3 4 1 59 288.758 3
Mid Mid (pH 6-8) 1.99 4.05 -7.76 2 4 0 54 287.75 3
Lo Low (pH 4.5-6) 1.99 4.55 -38.13 3 4 1 55 288.758 3

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

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