In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-N1-cyclopropyl-1-phenyl-N1-(2-thienylmethyl)propane-1,2-diamine (1S,2S)-N1-cyclopropyl-1-phenyl-…
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) | 2.79 | 7.21 | -38.92 | 3 | 2 | 1 | 31 | 287.452 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 8.75 | -125.1 | 4 | 2 | 2 | 32 | 288.46 | 6 | ↓ |