In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N1-cyclopropyl-1-(5-methyl-2-thienyl)-N1-(2-thienylmethyl)propane-1,2-diamine (1S,2R)-N1-cyclopropyl-1-(5-meth…
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) | 2.91 | 8.32 | -27.78 | 3 | 2 | 1 | 30 | 307.508 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 8.62 | -110.75 | 4 | 2 | 2 | 32 | 308.516 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 6.87 | -41.25 | 3 | 2 | 1 | 31 | 307.508 | 6 | ↓ |