In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2008 | 33 | No |
Popular Name: (3E)-1-[(4-benzyl-1-piperidyl)methyl]-3-(2-methylsulfanylphenyl)imino-indolin-2-one (3E)-1-[(4-benzyl-1-piperidyl)me…
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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) | 6.29 | 13.43 | -16.16 | 0 | 4 | 0 | 38 | 455.627 | 6 | ↓ |
Ref Reference (pH 7) | 6.29 | 13.95 | -12.67 | 0 | 4 | 0 | 38 | 455.627 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.29 | 16.26 | -46.65 | 1 | 4 | 1 | 39 | 456.635 | 6 | ↓ |