UCSF

ZINC37323606

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 No

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) 3.69 8.43 -10.36 1 3 0 42 285.416 3
Mid Mid (pH 6-8) 4.28 8.54 -9.5 2 3 0 44 285.416 3
Lo Low (pH 4.5-6) 4.28 8.94 -21.53 3 3 1 45 286.424 3

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

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