In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 17 | Yes |
Popular Name: (1R,2S)-N1-(cyclopropylmethyl)-1-(4-fluorophenyl)-N1-methyl-propane-1,2-diamine (1R,2S)-N1-(cyclopropylmethyl)-1…
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) | 2.16 | 7.55 | -124.59 | 4 | 2 | 2 | 32 | 238.35 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.16 | 7.29 | -37.9 | 3 | 2 | 1 | 30 | 237.342 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.16 | 4.88 | -46.11 | 3 | 2 | 1 | 31 | 237.342 | 5 | ↓ |