In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N1-cyclopropyl-1-(p-tolyl)-N1-(2,2,2-trifluoroethyl)butane-1,2-diamine (1S,2S)-N1-cyclopropyl-1-(p-toly…
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) | 3.41 | 6.68 | -45.66 | 3 | 2 | 1 | 31 | 301.376 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.41 | 6.5 | -2.19 | 2 | 2 | 0 | 29 | 300.368 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 8.36 | -114.03 | 4 | 2 | 2 | 32 | 302.384 | 7 | ↓ |