UCSF

ZINC62602229

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 33 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) 2.73 2.29 -28.48 4 9 0 145 489.575 9
Mid Mid (pH 6-8) 2.73 2.34 -65.61 3 9 -1 147 488.567 9

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

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