In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2011 | 21 | Yes |
Popular Name: (2R)-3-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-2-(methylamino)-2-phenyl-propan-1-ol (2R)-3-[ethyl-[[(2S)-tetrahydrof…
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) | 1.90 | 3.25 | -34.06 | 3 | 4 | 1 | 49 | 293.431 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 4.06 | -32.88 | 3 | 4 | 1 | 46 | 293.431 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 2.26 | -3.38 | 2 | 4 | 0 | 45 | 292.423 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.90 | 5.06 | -108.82 | 4 | 4 | 2 | 51 | 294.439 | 8 | ↓ |