UCSF

ZINC37918789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 21 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) 2.16 9.74 -62.91 1 7 -1 98 282.283 4
Lo Low (pH 4.5-6) 2.16 10.22 -69.39 2 7 0 99 283.291 4

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

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