UCSF

ZINC19453695

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.02 7.5 -33.64 1 5 1 43 371.48 4
Hi High (pH 8-9.5) 3.02 7.14 -8.08 0 5 0 41 370.472 4
Mid Mid (pH 6-8) 3.02 9.89 -122.15 2 5 2 44 372.488 4
Lo Low (pH 4.5-6) 3.02 9.52 -54.28 1 5 1 43 371.48 4

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

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