UCSF

ZINC63244369

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 15 No

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) -1.50 0.28 -39.94 2 8 -1 118 207.173 2
Hi High (pH 8-9.5) -1.69 1.6 -41.81 2 8 -1 110 207.173 2
Mid Mid (pH 6-8) -1.50 -0.12 -115.18 1 8 -2 117 206.165 2

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

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