UCSF

ZINC65492261

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 Yes

Popular Name: (3aR,6aR)-N-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-5-methyl-1,2,3,3a,4,6-hexahydropyrrolo[3, (3aR,6aR)-N-[3-(4-chloro-3,5-dim…

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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) 1.12 2.5 -50.92 3 6 1 67 340.879 5 ↓
Hi High (pH 8-9.5) 1.12 3.76 -48.18 3 6 1 63 340.879 5 ↓
Hi High (pH 8-9.5) 1.12 1.06 -12.36 2 6 0 62 339.871 5 ↓
Lo Low (pH 4.5-6) 1.12 5.2 -115.55 4 6 2 68 341.887 5 ↓

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

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