UCSF

ZINC69457845

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 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) 0.02 6.47 -43.39 3 8 1 93 327.368 5
Mid Mid (pH 6-8) 0.02 5.95 -15.41 2 8 0 92 326.36 5

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

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