UCSF

ZINC13672973

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 23 Yes

Popular Name: (4R,5R)-7-amino-3,3-dimethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-benzo[f]thiepin-4-ol (4R,5R)-7-amino-3,3-dimethyl-1,1…

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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) 2.19 4.46 -13.48 3 4 0 80 331.437 1 ↓

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Rings

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

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