UCSF

ZINC04638047

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 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) 2.13 1.36 -45.55 1 4 -1 61 189.194 2
Mid Mid (pH 6-8) 2.13 -0.06 -8.58 2 4 0 58 190.202 2

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

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