UCSF

ZINC36877893

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 3.46 7.84 -29.24 4 3 1 56 278.379 4
Hi High (pH 8-9.5) 3.46 7.22 -6.49 3 3 0 55 277.371 4
Mid Mid (pH 6-8) 3.46 7.53 -45.57 4 3 1 56 278.379 4
Mid Mid (pH 6-8) 3.46 8.13 -119.18 5 3 2 58 279.387 4

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

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