In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: (2S)-1-(cyclopropylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol (2S)-1-(cyclopropylamino)-3-[cyc…
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) | 1.60 | 5.58 | -100.4 | 4 | 3 | 2 | 41 | 228.38 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.60 | 6.1 | -38.67 | 3 | 3 | 1 | 44 | 227.372 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.60 | 4.22 | -34.19 | 3 | 3 | 1 | 37 | 227.372 | 9 | ↓ |