UCSF

ZINC62870496

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 17 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) 0.07 3.78 -55.1 1 5 -1 72 257.335 2
Mid Mid (pH 6-8) 0.07 4.85 -73.24 2 5 0 77 258.343 2

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

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