UCSF

ZINC17886106

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 32 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) 7.99 13.94 -9.81 0 4 0 43 428.576 12
Ref Reference (pH 7) 7.99 12.59 -9.37 0 4 0 43 428.576 12
Lo Low (pH 4.5-6) 7.99 14.37 -40.41 1 4 1 45 429.584 12
Lo Low (pH 4.5-6) 7.99 13.02 -39.42 1 4 1 45 429.584 12
Lo Low (pH 4.5-6) 7.99 13.69 -41.17 1 4 1 45 429.584 12
Lo Low (pH 4.5-6) 7.99 14.29 -38.86 1 4 1 45 429.584 12

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

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