UCSF

ZINC37221686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 2.77 9.71 -79.33 3 3 2 21 283.504 6
Hi High (pH 8-9.5) 2.77 5.68 -33.61 2 3 1 23 282.496 6
Hi High (pH 8-9.5) 2.77 6.31 -30.34 2 3 1 20 282.496 6
Mid Mid (pH 6-8) 2.77 7.82 -111.67 3 3 2 24 283.504 6
Mid Mid (pH 6-8) 2.77 10.12 -192.69 4 3 3 25 284.512 6
Mid Mid (pH 6-8) 2.77 8.33 -99.03 3 3 2 24 283.504 6

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

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