UCSF

ZINC62520029

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 13 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) 1.23 3.06 -4.92 2 3 0 38 178.235 0
Mid Mid (pH 6-8) 1.23 3.36 -30.27 3 3 1 40 179.243 0

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

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