In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 15 | Yes |
Popular Name: (2R)-1-[butyl(ethyl)amino]-3-(propylamino)propan-2-ol (2R)-1-[butyl(ethyl)amino]-3-(pr…
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) | 1.83 | 5.06 | -100.64 | 4 | 3 | 2 | 41 | 218.385 | 10 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 5.5 | -38.55 | 3 | 3 | 1 | 44 | 217.377 | 10 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 3.71 | -32.62 | 3 | 3 | 1 | 37 | 217.377 | 10 | ↓ |