In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: N-[[(2S,4R)-4-methoxypyrrolidin-2-yl]methyl]-N-(3-thienylmethyl)cyclopropanamine N-[[(2S,4R)-4-methoxypyrrolidin-…
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) | 1.57 | 5.48 | -33.45 | 2 | 3 | 1 | 26 | 267.418 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.57 | 6.81 | -118.94 | 3 | 3 | 2 | 30 | 268.426 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.57 | 4.54 | -34.93 | 2 | 3 | 1 | 29 | 267.418 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.