UCSF

ZINC98089141

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 27 No

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Annotations

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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) 2.40 11.42 -47.39 3 5 0 94 363.413 5
Mid Mid (pH 6-8) 2.40 11.04 -55.1 2 5 -1 92 362.405 5

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

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