UCSF

ZINC42134790

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 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) -1.32 1.32 -16.61 2 5 0 80 316.329 1
Mid Mid (pH 6-8) -1.31 1.64 -56.85 3 5 1 82 317.337 1

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

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