UCSF

ZINC63740098

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 19 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) 0.57 1.03 -14.43 3 7 0 104 258.237 2
Hi High (pH 8-9.5) 1.03 -1.58 -52.51 2 7 -1 107 257.229 2

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

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