| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: (4S)-N-[(2-methyl-1H-imidazol-4-yl)methyl]thiochroman-4-amine (4S)-N-[(2-methyl-1H-imidazol-4-…
None
| 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) | 1.01 | 6.65 | -34.67 | 3 | 3 | 1 | 42 | 260.386 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.01 | 6.23 | -8.7 | 2 | 3 | 0 | 41 | 259.378 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 7.01 | -50.29 | 3 | 3 | 1 | 45 | 260.386 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.01 | 7.49 | -113.89 | 4 | 3 | 2 | 47 | 261.394 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
