| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 18 | Yes |
Popular Name: 3-methyl-N2-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-2,5-diamine 3-methyl-N2-[(4S)-4,5,6,7-tetrah…
| 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) | 2.92 | 6.27 | -26.35 | 4 | 3 | 1 | 52 | 260.386 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 5.95 | -6.23 | 3 | 3 | 0 | 51 | 259.378 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
