| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 25 | Yes |
Popular Name: 5-isopropyl-N,N,2-trimethyl-4-[[[(4S)-8-methylchroman-4-yl]amino]methyl]pyrazol-3-amine 5-isopropyl-N,N,2-trimethyl-4-[[…
| 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) | 2.60 | 8.7 | -27.72 | 2 | 5 | 1 | 44 | 343.495 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 8.56 | -6.87 | 1 | 5 | 0 | 42 | 342.487 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.60 | 9.79 | -43.08 | 2 | 5 | 1 | 47 | 343.495 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 9.89 | -102.37 | 3 | 5 | 2 | 48 | 344.503 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
