UCSF

ZINC89212485

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2013 13 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) -0.46 -0.83 -34.05 5 4 1 72 186.279 3
Hi High (pH 8-9.5) -0.46 -1.48 -28.31 5 4 1 72 186.279 3
Lo Low (pH 4.5-6) -0.46 -0.13 -107.91 6 4 2 76 187.287 3

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

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