UCSF

ZINC71572419

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 18 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) 1.42 2.98 -38.8 2 4 1 38 251.35 5
Hi High (pH 8-9.5) 1.42 1.55 -4.33 1 4 0 34 250.342 5
Lo Low (pH 4.5-6) 1.42 5.25 -103.69 3 4 2 40 252.358 5

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

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