UCSF

ZINC69842813

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 12 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) -0.25 0.6 -95.23 5 3 2 53 172.272 1
Hi High (pH 8-9.5) -0.25 -0.72 -41.35 4 3 1 49 171.264 1

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

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