UCSF

ZINC49570370

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 No

Popular Name: 2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-4,6-dimethyl-pyridine-3-carbothioamide 2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…

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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) 2.51 7.56 -40.33 4 4 1 55 305.471 3 ↓
Mid Mid (pH 6-8) 2.51 7.86 -96.48 5 4 2 57 306.479 3 ↓

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

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