UCSF

ZINC19460312

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 29 Yes

Popular Name: (4aS,8aS)-3,3-dimethyl-4-[2-[4-(2-pyridylmethyl)piperazin-1-yl]acetyl]-4a,5,6,7,8,8a-hexahydro-1H-qu (4aS,8aS)-3,3-dimethyl-4-[2-[4-(…

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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) 0.98 5.95 -41.99 2 7 1 70 400.547 4 ↓
Hi High (pH 8-9.5) 0.98 3.39 -10.74 1 7 0 69 399.539 4 ↓
Mid Mid (pH 6-8) 0.98 4.03 -36.71 2 7 1 70 400.547 4 ↓
Mid Mid (pH 6-8) 0.98 5.59 -39.56 2 7 1 70 400.547 4 ↓
Lo Low (pH 4.5-6) 0.98 6.29 -98.95 3 7 2 71 401.555 4 ↓

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