In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 23 | Yes |
Popular Name: (2S)-N-(cyclohexylmethyl)-2-[[(2R)-2-dimethylamino-2-(2-furyl)ethyl]amino]propanamide (2S)-N-(cyclohexylmethyl)-2-[[(2…
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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) | 2.69 | 5.9 | -40.52 | 3 | 5 | 1 | 62 | 322.473 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 6.86 | -34.34 | 3 | 5 | 1 | 59 | 322.473 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 4.15 | -8.57 | 2 | 5 | 0 | 58 | 321.465 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.69 | 7.72 | -112.46 | 4 | 5 | 2 | 63 | 323.481 | 8 | ↓ |