In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 19 | No |
Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1-(3-isopropyl-1-methyl-pyrazol-4-yl)methanamine N-[[(3S)-1,1-dioxothiolan-3-yl]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) | 1.06 | 3.57 | -67.82 | 2 | 5 | 1 | 69 | 286.421 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.06 | 2.2 | -15.95 | 1 | 5 | 0 | 64 | 285.413 | 5 | ↓ |