| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 19 | Yes |
Popular Name: (3S)-3-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (3S)-3-(5-isopropyl-2-methyl-1,2…
| 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) | 1.84 | 5.92 | -8.21 | 1 | 4 | 0 | 43 | 256.353 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 7.24 | -43.47 | 2 | 4 | 1 | 47 | 257.361 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 6.59 | -28.34 | 2 | 4 | 1 | 44 | 257.361 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
