UCSF

ZINC55104202

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 25 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) 3.61 7.65 -39.74 0 5 -1 67 354.304 8
Lo Low (pH 4.5-6) 3.61 8.06 -8.62 1 5 0 68 355.312 8

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

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