In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: N-isopropyl-N-methyl-N'-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]butane-1,4-diamine N-isopropyl-N-methyl-N'-[(4S)-1-…
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 | 8.47 | -97.31 | 3 | 4 | 2 | 39 | 280.46 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.22 | 7.09 | -35.55 | 2 | 4 | 1 | 34 | 279.452 | 7 | ↓ |