UCSF

ZINC67974675

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 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) 0.17 5.07 -98.57 3 8 0 121 370.456 7
Hi High (pH 8-9.5) 0.17 3.73 -70.32 2 8 -1 116 369.448 7
Mid Mid (pH 6-8) 0.17 5.59 -126.22 4 8 1 122 371.464 7

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

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