UCSF

ZINC55568724

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 25 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) 2.62 10.59 -88.43 2 6 2 55 342.443 6
Hi High (pH 8-9.5) 2.62 9.58 -13.8 0 6 0 52 340.427 6
Mid Mid (pH 6-8) 2.62 9.89 -28.86 1 6 1 54 341.435 6
Mid Mid (pH 6-8) 2.62 10.12 -38.3 1 6 1 54 341.435 6

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

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