In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 28 | Yes |
Popular Name: N-[3-[[(2S)-2-dimethylamino-2-(4-ethylphenyl)ethyl]amino]-3-oxo-propyl]-2-methyl-benzamide N-[3-[[(2S)-2-dimethylamino-2-(4…
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) | 3.44 | 9.78 | -55.18 | 3 | 5 | 1 | 63 | 382.528 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 7.68 | -20.98 | 2 | 5 | 0 | 61 | 381.52 | 9 | ↓ |