UCSF

ZINC95887604

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 19 Yes

Other Names:

MFCD00022767

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) -2.53 2.52 -66.44 4 6 0 109 261.281 5
Hi High (pH 8-9.5) -2.53 2.18 -53.38 3 6 -1 108 260.273 5

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

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