In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 17 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-(m-tolylmethyl)propane-1,2-diamine (2S)-N1,N1-diethyl-N2-(m-tolylme…
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) | 3.03 | 7.35 | -34.1 | 2 | 2 | 1 | 20 | 235.395 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.03 | 8.18 | -33.19 | 2 | 2 | 1 | 16 | 235.395 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.03 | 9.43 | -112.2 | 3 | 2 | 2 | 21 | 236.403 | 7 | ↓ |