UCSF

ZINC23039865

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 26 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) 1.74 9.76 -22.94 1 8 0 112 352.35 5
Hi High (pH 8-9.5) 2.20 7.04 -58.86 0 8 -1 115 351.342 5

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

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