UCSF

ZINC04497830

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 29 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) 3.41 5.55 -54.59 2 8 -1 119 406.447 5
Hi High (pH 8-9.5) 3.59 5.8 -44.9 2 8 -1 118 406.447 4
Mid Mid (pH 6-8) 3.41 5.52 -135.95 1 8 -2 117 405.439 5

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

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