UCSF

ZINC62953053

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 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) 1.21 3.94 -121.94 4 3 2 41 228.38 2
Hi High (pH 8-9.5) 1.21 1.96 -41.49 3 3 1 40 227.372 2
Hi High (pH 8-9.5) 1.21 1.29 -1.77 2 3 0 38 226.364 2
Mid Mid (pH 6-8) 1.21 3.58 -29.75 3 3 1 40 227.372 2

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

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