UCSF

ZINC61326956

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 21 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) 1.28 7.71 -117.86 5 3 2 58 297.427 3
Hi High (pH 8-9.5) 1.28 7.32 -7.43 3 3 0 55 295.411 3
Hi High (pH 8-9.5) 1.28 7.36 -30.54 4 3 1 56 296.419 3
Mid Mid (pH 6-8) 1.28 7.93 -40.65 4 3 1 56 296.419 3

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

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