UCSF

ZINC68898010

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 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) -0.20 3.17 -35.11 3 3 1 48 169.248 3
Hi High (pH 8-9.5) -0.20 2.76 -6.64 2 3 0 46 168.24 3

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

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