UCSF

ZINC67743320

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 20 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) 2.06 5.12 -38.48 3 5 1 62 299.826 5
Mid Mid (pH 6-8) 2.06 3.21 -9.61 2 5 0 61 298.818 5
Mid Mid (pH 6-8) 2.06 3.86 -37.38 3 5 1 62 299.826 5

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

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