UCSF

ZINC68893616

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 14 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) 2.27 7.54 -109.48 3 2 2 21 198.354 5
Hi High (pH 8-9.5) 2.27 6.38 -28.8 2 2 1 16 197.346 5
Mid Mid (pH 6-8) 2.27 5.65 -31.11 2 2 1 20 197.346 5

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

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