UCSF

ZINC65505116

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 22 Yes

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) 2.10 4.59 -37.42 0 5 -1 73 303.382 4
Mid Mid (pH 6-8) 1.92 6.72 -9.96 1 5 0 66 304.39 4

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

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