UCSF

ZINC69845820

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 12 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) 0.40 3.11 -37.77 4 3 1 56 164.232 3
Hi High (pH 8-9.5) 0.40 1.8 -4.09 3 3 0 51 163.224 3
Mid Mid (pH 6-8) 0.40 3.58 -93.45 5 3 2 57 165.24 3

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

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