UCSF

ZINC71556532

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 28 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) 4.21 6.3 -56.91 1 7 -1 95 402.496 8
Lo Low (pH 4.5-6) 4.21 6.23 -19.93 2 7 0 93 403.504 8
Lo Low (pH 4.5-6) 4.21 6.7 -33.22 2 7 0 97 403.504 8
Lo Low (pH 4.5-6) 4.21 6.62 -36.03 3 7 1 95 404.512 8

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

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