UCSF

ZINC62775065

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2011 18 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) -0.23 2.81 -45.14 4 5 1 77 245.306 4
Hi High (pH 8-9.5) -0.23 2.4 -11.71 3 5 0 75 244.298 4

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

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