UCSF

ZINC67160786

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 24 No

Popular Name: (3aS,4S,6aS)-4-[5-(4-isopropylpiperazin-1-yl)-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imid (3aS,4S,6aS)-4-[5-(4-isopropylpi…

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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) 1.43 4.93 -47.27 3 6 1 66 355.528 6 ↓
Mid Mid (pH 6-8) 1.43 2.79 -13.69 2 6 0 65 354.52 6 ↓

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

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