| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 19 | Yes |
Popular Name: (2S)-1-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-3-isopropoxy-propan-2-ol (2S)-1-[[5-(aminomethyl)-4-cyclo…
| 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) | 0.11 | 2.29 | -54.66 | 4 | 6 | 1 | 88 | 287.409 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.11 | 1.89 | -12.41 | 3 | 6 | 0 | 86 | 286.401 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
