| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 17 | No |
Popular Name: (4S)-N-(4H-1,2,4-triazol-3-ylmethyl)isothiochroman-4-amine (4S)-N-(4H-1,2,4-triazol-3-ylmet…
| 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) | 0.95 | 6.79 | -39.55 | 3 | 4 | 1 | 58 | 247.347 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 5.96 | -8.22 | 2 | 4 | 0 | 54 | 246.339 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | 6.63 | -31.71 | 2 | 4 | 0 | 56 | 246.339 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
