In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 15 | Yes |
Popular Name: N-methyl-1-[(3R)-1-[(1R)-1-(3-thienyl)ethyl]pyrrolidin-3-yl]methanamine N-methyl-1-[(3R)-1-[(1R)-1-(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) | 2.18 | 4.74 | -39.43 | 2 | 2 | 1 | 20 | 225.381 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 6.99 | -101.29 | 3 | 2 | 2 | 21 | 226.389 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.