UCSF

ZINC36096679

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.77 3.88 -10.05 1 5 0 54 305.422 7
Lo Low (pH 4.5-6) 1.77 6.03 -111.4 3 5 2 57 307.438 7
Lo Low (pH 4.5-6) 1.77 4.36 -44.39 2 5 1 56 306.43 7

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

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