In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 17 | Yes |
Popular Name: 3-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridin-2-amine 3-methyl-N-[(4R)-4,5,6,7-tetrahy…
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) | 3.29 | 8.77 | -28.45 | 2 | 2 | 1 | 26 | 245.371 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 8.52 | -5.49 | 1 | 2 | 0 | 25 | 244.363 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.