UCSF

ZINC98572924

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2015 20 Yes

CAS Number: 10127-02-3

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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) 6.14 10.87 -8.51 0 1 0 13 263.384 2
Mid Mid (pH 6-8) 6.14 11.25 -23.49 1 1 1 14 264.392 2

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

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