UCSF

ZINC13426737

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 19 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) 2.37 1.8 -6.94 3 5 0 86 408.071 2
Hi High (pH 8-9.5) 2.88 1.58 -86.21 1 5 -2 86 406.055 2
Mid Mid (pH 6-8) 2.37 2.58 -32.18 2 5 -1 89 407.063 2

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

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