In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (3S,4S)-N3-methyl-N4-propyl-N3-(2,2,2-trifluoroethyl)chromane-3,4-diamine (3S,4S)-N3-methyl-N4-propyl-N3-(…
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) | 3.37 | 6.25 | -36.47 | 2 | 3 | 1 | 29 | 303.348 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.37 | 4.73 | -3.43 | 1 | 3 | 0 | 24 | 302.34 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.37 | 7.94 | -123.49 | 3 | 3 | 2 | 30 | 304.356 | 6 | ↓ |