In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (3S,4S)-N3,N4-diethyl-N3-(2,2,2-trifluoroethyl)chromane-3,4-diamine (3S,4S)-N3,N4-diethyl-N3-(2,2,2-…
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) | 3.24 | 5.68 | -38.68 | 2 | 3 | 1 | 29 | 303.348 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.24 | 5.53 | -3.21 | 1 | 3 | 0 | 24 | 302.34 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.24 | 7.56 | -118.92 | 3 | 3 | 2 | 30 | 304.356 | 6 | ↓ |