UCSF

ZINC14007483

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 20 No

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) 3.67 5.07 -10.28 1 4 0 54 266.3 3
Ref Reference (pH 7) 3.67 5.38 -9.73 1 4 0 54 266.3 3
Hi High (pH 8-9.5) 4.13 3.61 -47.78 0 4 -1 58 265.292 3
Hi High (pH 8-9.5) 4.13 3.09 -49.9 0 4 -1 58 265.292 3

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

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