UCSF

ZINC71524938

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 16 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) 0.90 1.22 -47.63 3 4 1 55 224.28 3
Hi High (pH 8-9.5) 0.90 -0.2 -7.2 2 4 0 51 223.272 3

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

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