UCSF

ZINC22769978

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.10 7.63 -47.89 2 5 1 64 322.175 3
Hi High (pH 8-9.5) 3.10 7.53 -46.04 0 5 -1 66 320.159 3
Mid Mid (pH 6-8) 3.10 9.1 -22.76 1 5 0 67 321.167 3
Mid Mid (pH 6-8) 3.10 6.76 -13.51 1 5 0 63 321.167 3

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

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