UCSF

ZINC37307149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 4.95 9.02 -11.72 0 3 0 49 281.331 4
Mid Mid (pH 6-8) 3.76 11.52 -19.64 0 3 0 43 282.339 5

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

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