UCSF

ZINC12539441

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 24 Yes

Popular Name: (7S)-7-methyl-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-5,6,7,8-tetrahydrobenzothiophe (7S)-7-methyl-2-[(1S)-1-(3-methy…

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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) 4.07 7.01 -10.13 2 6 0 91 361.496 3 ↓
Lo Low (pH 4.5-6) 4.07 7.32 -27.08 3 6 1 92 362.504 3 ↓
Lo Low (pH 4.5-6) 4.07 3.74 -27.6 3 6 1 92 362.504 3 ↓

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