UCSF

ZINC69052510

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 18 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) 1.19 1 -6.14 2 5 0 67 260.322 2
Mid Mid (pH 6-8) 1.19 2.36 -47.48 3 5 1 71 261.33 2

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

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