| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 21 | Yes |
Popular Name: (3S)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-[(4,5-dimethyl-1,2,4-tria…
| 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) | -1.38 | 7.51 | -46.9 | 0 | 6 | -1 | 74 | 285.327 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.38 | 9.74 | -24.99 | 1 | 6 | 0 | 75 | 286.335 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
