UCSF

ZINC95908496

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2014 15 Yes

Other Names:

MFCD26792923

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) 1.70 4.78 -3.82 2 3 0 38 206.289 3
Mid Mid (pH 6-8) 1.70 4.67 -29.71 3 3 1 40 207.297 3

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

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