| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 17 | Yes |
Popular Name: (2S)-2-(1,4-diazepan-1-yl)-2-(3-methyl-2-thienyl)acetic (2S)-2-(1,4-diazepan-1-yl)-2-(3-…
| 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 | 4.17 | -55.88 | 2 | 4 | 0 | 60 | 254.355 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.01 | 3.58 | -49.06 | 1 | 4 | -1 | 55 | 253.347 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.01 | 6.86 | -86.71 | 3 | 4 | 1 | 61 | 255.363 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.01 | 5.56 | -27.42 | 2 | 4 | 0 | 57 | 254.355 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
