UCSF

ZINC13281477

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 17 Yes

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Annotations

Vendors

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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) 2.78 5.84 -6.63 2 3 0 52 225.295 1
Lo Low (pH 4.5-6) 2.78 6.12 -33.69 3 3 1 53 226.303 1

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

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