In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 17 | Yes |
Popular Name: (2R)-N1,2-dicyclopropyl-N1-(3-thienylmethyl)propane-1,2-diamine (2R)-N1,2-dicyclopropyl-N1-(3-th…
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) | 2.41 | 7.64 | -118.85 | 4 | 2 | 2 | 32 | 252.427 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 5.32 | -33.05 | 3 | 2 | 1 | 31 | 251.419 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.41 | 7.7 | -29.38 | 3 | 2 | 1 | 30 | 251.419 | 6 | ↓ |