In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 15 | Yes |
Popular Name: (2R)-1-[butyl(cyclopropyl)amino]-3-(ethylamino)propan-2-ol (2R)-1-[butyl(cyclopropyl)amino]…
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) | 1.31 | 5.08 | -98.1 | 4 | 3 | 2 | 41 | 216.369 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.31 | 5.57 | -36.78 | 3 | 3 | 1 | 44 | 215.361 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.31 | 3.71 | -32.02 | 3 | 3 | 1 | 37 | 215.361 | 9 | ↓ |