UCSF

ZINC65731274

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 53 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) 2.44 3.4 -16.23 5 14 0 194 757.959 8
Mid Mid (pH 6-8) 2.44 5.68 -38.68 6 14 1 195 758.967 8

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

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