UCSF

ZINC71566540

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 32 Yes

Popular Name: 2-(diethylaminomethyl)-3-[(4-hydroxy-5-propoxy-2-pyridyl)methyl]-5,6,7,8-tetrahydrobenzothiopheno[2, 2-(diethylaminomethyl)-3-[(4-hyd…

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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) 3.13 13.52 -54.64 2 7 1 81 457.62 9 ↓
Mid Mid (pH 6-8) 3.13 11.41 -17.82 1 7 0 80 456.612 9 ↓

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

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