UCSF

ZINC62157077

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 28 Yes

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) 3.19 10.65 -46.74 2 5 1 54 400.93 6
Mid Mid (pH 6-8) 3.19 8.3 -9.54 1 5 0 53 399.922 6

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

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