In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 16 | Yes |
Popular Name: (2R)-1-[cyclopentyl(ethyl)amino]-3-(isopropylamino)propan-2-ol (2R)-1-[cyclopentyl(ethyl)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) | 1.93 | 4.64 | -97.76 | 4 | 3 | 2 | 41 | 230.396 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 5.17 | -37 | 3 | 3 | 1 | 44 | 229.388 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 3.42 | -31.19 | 3 | 3 | 1 | 37 | 229.388 | 7 | ↓ |