UCSF

ZINC66166067

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 33 No

Download: MOL2 SDF SMILES Flexibase

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) 3.45 7.61 -7.4 1 8 0 104 453.539 1
Mid Mid (pH 6-8) 3.45 9.83 -44.68 2 8 1 106 454.547 1

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

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