UCSF

ZINC36096654

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 0.76 2.57 -10.46 1 5 0 54 277.368 5
Lo Low (pH 4.5-6) 0.76 4.97 -110.89 3 5 2 57 279.384 5
Lo Low (pH 4.5-6) 0.76 3.02 -45.24 2 5 1 56 278.376 5

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

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