UCSF

ZINC63001304

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 20 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) 2.98 5.58 -30.94 3 3 1 46 265.336 4
Hi High (pH 8-9.5) 2.98 5.14 -8.37 2 3 0 45 264.328 4

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

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