UCSF

ZINC55073205

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 24 Yes

Popular Name: N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[1-[(3,5-dimethylpyrazol-1-yl)m N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-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) 2.41 11.33 -108.49 3 4 2 39 332.536 6 ↓
Hi High (pH 8-9.5) 2.41 9.76 -37.09 2 4 1 34 331.528 6 ↓
Hi High (pH 8-9.5) 2.41 9.33 -43.74 2 4 1 38 331.528 6 ↓
Lo Low (pH 4.5-6) 2.41 11.06 -181.1 4 4 3 40 333.544 6 ↓

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Rings

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