UCSF

ZINC41567132

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 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) 1.08 3.21 -45.7 3 6 1 58 321.445 8
Hi High (pH 8-9.5) 1.08 0.74 -8.55 2 6 0 57 320.437 8
Lo Low (pH 4.5-6) 1.08 5.41 -84.07 4 6 2 59 322.453 8

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

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