UCSF

ZINC12416804

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 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 0.72 -9.86 0 3 0 27 186.214 0
Mid Mid (pH 6-8) 2.27 0.88 -27.33 1 3 1 28 187.222 0

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

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