In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2011 | 15 | Yes |
Popular Name: 3-isopropyl-1-methyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 3-isopropyl-1-methyl-5-[(3S)-3-m…
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) | 1.22 | 4.62 | -45.21 | 2 | 4 | 1 | 47 | 209.317 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.