In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2010 | 20 | Yes |
Popular Name: 3-methyl-N-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]aniline 3-methyl-N-[2-[(4R)-4-methyl-6,7…
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) | 4.08 | 9.63 | -40.15 | 2 | 2 | 1 | 16 | 287.452 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.08 | 7.55 | -4.38 | 1 | 2 | 0 | 15 | 286.444 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.