UCSF

ZINC22716055

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (9R)-9-(4-hydroxy-3-methoxy-phenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-4H-[1,2,4]t (9R)-9-(4-hydroxy-3-methoxy-phen…

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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) 3.54 12.31 -23.47 2 10 0 135 479.518 6 ↓
Hi High (pH 8-9.5) 3.71 12.24 -42.58 1 10 -1 137 478.51 6 ↓
Hi High (pH 8-9.5) 3.54 13.16 -72.09 1 10 -1 138 478.51 6 ↓
Mid Mid (pH 6-8) 2.08 4.91 -12.31 1 7 0 81 423.391 6 ↓

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Rings

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

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