UCSF

ZINC67712788

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 24 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) 0.80 6.88 -96 6 6 2 92 325.416 4
Hi High (pH 8-9.5) 0.80 6.11 -16.06 4 6 0 89 323.4 4
Mid Mid (pH 6-8) 0.80 6.43 -54.41 5 6 1 90 324.408 4
Mid Mid (pH 6-8) 0.80 6.56 -31.68 5 6 1 90 324.408 4

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

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