UCSF

ZINC41572418

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 19 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) 5.38 5.18 -11.09 1 4 0 62 336.891 3
Mid Mid (pH 6-8) 4.45 4.81 -41.83 0 4 -1 61 335.883 4

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

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