UCSF

ZINC49569023

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 15 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) 1.44 5.79 -36.68 2 3 1 29 204.297 2
Hi High (pH 8-9.5) 1.44 3.28 -4.09 1 3 0 28 203.289 2
Mid Mid (pH 6-8) 1.44 6.26 -82.97 3 3 2 31 205.305 2

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

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