In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 21 | No |
Popular Name: (4R)-4-(3-aminopropyl)-5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-tert-bu…
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) | 0.37 | 1.74 | -56.4 | 3 | 6 | 1 | 94 | 316.447 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.