UCSF

ZINC08439974

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 35 Yes

Other Names:

MFCD03837889

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) -0.20 -2.39 -86.5 4 10 2 120 475.553 6
Lo Low (pH 4.5-6) -0.20 -2.28 -150.47 5 10 3 121 476.561 6

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

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