UCSF

ZINC22714386

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 34 No

Popular Name: (9S)-9-(2-nitrophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b (9S)-9-(2-nitrophenyl)-2-[(4-nit…

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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) 4.11 16.43 -29.87 1 11 0 151 478.49 6 ↓
Hi High (pH 8-9.5) 4.28 15.46 -50.07 0 11 -1 153 477.482 6 ↓
Mid Mid (pH 6-8) 3.80 9.19 -11.67 1 5 0 59 372.509 6 ↓

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

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