UCSF

ZINC53940962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 18 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) -0.60 2.86 -68.16 3 3 1 48 332.287 4
Hi High (pH 8-9.5) -0.60 2.55 -12.89 2 3 0 46 331.279 4

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

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