UCSF

ZINC19460311

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Substance Information

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

Popular Name: (4aR,8aS)-3,3-dimethyl-4-[2-[4-(2-pyridylmethyl)piperazin-1-yl]acetyl]-4a,5,6,7,8,8a-hexahydro-1H-qu (4aR,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 5.71 -53.17 2 7 1 70 400.547 4 ↓
Hi High (pH 8-9.5) 0.98 3.49 -15.18 1 7 0 69 399.539 4 ↓
Mid Mid (pH 6-8) 0.98 4.13 -41.61 2 7 1 70 400.547 4 ↓
Mid Mid (pH 6-8) 0.98 6.4 -45.2 2 7 1 70 400.547 4 ↓
Lo Low (pH 4.5-6) 0.98 6.1 -104.2 3 7 2 71 401.555 4 ↓

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