UCSF

ZINC63742938

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 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) 2.76 5.03 -14.09 1 8 0 105 427.91 7
Mid Mid (pH 6-8) 2.94 3.28 -40.64 0 8 -1 111 426.902 7

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

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