| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 19 | No |
Popular Name: (2S)-2-methylsulfanyl-1-[4-(thiazol-4-ylmethyl)-1,4-diazepan-1-yl]propan-1-one (2S)-2-methylsulfanyl-1-[4-(thia…
| 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) | 1.28 | 7.35 | -46.52 | 1 | 4 | 1 | 38 | 300.473 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 5.46 | -14.53 | 0 | 4 | 0 | 36 | 299.465 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
