| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | Yes |
Popular Name: (3S)-2-[(5-chloro-2-thienyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-[(5-chloro-2-thienyl)meth…
| 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) | 1.61 | 10.71 | -30.1 | 1 | 3 | 0 | 45 | 307.802 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 8.5 | -46.15 | 0 | 3 | -1 | 43 | 306.794 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
