| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 19 | No |
Popular Name: 4-[(isopropylamino)methyl]-N,2,5-trimethyl-N-[(3S)-tetrahydrothiophen-3-yl]pyrazol-3-amine 4-[(isopropylamino)methyl]-N,2,5…
| 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) | 1.64 | 7.8 | -39.51 | 2 | 4 | 1 | 38 | 283.465 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 6.59 | -4.81 | 1 | 4 | 0 | 33 | 282.457 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 7.95 | -98.28 | 3 | 4 | 2 | 39 | 284.473 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
