UCSF

ZINC22701356

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 26 Yes

Popular Name: N-[4-(morpholinomethyl)thiazol-2-yl]-4,5,6,7,8,9-hexahydrocycloocta[d]thiophene-2-carboxamide N-[4-(morpholinomethyl)thiazol-2…

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Download: MOL2 SDF SMILES Flexibase

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) 3.86 6.28 -8.03 1 5 0 54 391.562 4 ↓
Hi High (pH 8-9.5) 3.92 5.31 -44.35 0 5 -1 61 390.554 4 ↓
Lo Low (pH 4.5-6) 3.86 8.55 -38.03 2 5 1 56 392.57 4 ↓

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

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