| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2009 | 30 | No |
Popular Name: (4S)-4-[(butyl-ethyl-amino)methyl]-5-(2-hydroxyphenyl)-2-(4-methylbenzoyl)-4H-pyrazol-3-one (4S)-4-[(butyl-ethyl-amino)methy…
| 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) | 4.67 | 11.99 | -50.51 | 2 | 6 | 1 | 74 | 408.522 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.67 | 10.29 | -45.12 | 0 | 6 | -1 | 76 | 406.506 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.67 | 12.75 | -54.9 | 1 | 6 | 0 | 77 | 407.514 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.67 | 9.73 | -17.09 | 1 | 6 | 0 | 73 | 407.514 | 8 | ↓ |
