UCSF

ZINC22751877

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 35 No

Popular Name: (9S)-9-(3-ethoxy-4-hydroxy-phenyl)-2-[(3-nitrophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-4H-[1,2,4]tr (9S)-9-(3-ethoxy-4-hydroxy-pheny…

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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) 3.89 13.23 -24.26 2 10 0 135 493.545 7 ↓
Hi High (pH 8-9.5) 4.23 12.77 -45.63 1 10 -1 137 492.537 7 ↓
Hi High (pH 8-9.5) 4.06 13.16 -45.92 1 10 -1 137 492.537 7 ↓
Mid Mid (pH 6-8) 0.81 4.9 -13.86 1 5 0 59 308.403 4 ↓

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Rings

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

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