UCSF

ZINC22751893

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Substance Information

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

Popular Name: (9S)-9-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo (9S)-9-(3,4-dimethoxyphenyl)-2-[…

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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) 3.82 14.38 -25.22 1 10 0 124 493.545 7 ↓
Hi High (pH 8-9.5) 4.00 14.31 -46.92 0 10 -1 126 492.537 7 ↓
Mid Mid (pH 6-8) 2.05 5.4 -9.22 1 6 0 72 348.786 3 ↓

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

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