UCSF

ZINC61365576

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 15 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) 0.05 1.87 -6.86 1 5 0 72 224.241 2
Mid Mid (pH 6-8) 0.51 -0.79 -37.47 0 5 -1 75 223.233 2

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

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