UCSF

ZINC65505003

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 21 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) 2.48 6.26 -38.42 2 4 1 35 311.833 4
Lo Low (pH 4.5-6) 2.48 7.47 -109.49 3 4 2 40 312.841 4
Lo Low (pH 4.5-6) 2.48 5.69 -34.75 2 4 1 38 311.833 4

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

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