UCSF

ZINC90502393

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2013 16 No

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Annotations

None

Vendors

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) 1.63 7.89 -40.73 1 3 0 45 229.226 5
Mid Mid (pH 6-8) 1.63 5.72 -40.97 0 3 -1 43 228.218 5

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

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