| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 16 | No |
Popular Name: 4-(aminomethyl)-N,2,5-trimethyl-N-[(3S)-tetrahydrothiophen-3-yl]pyrazol-3-amine 4-(aminomethyl)-N,2,5-trimethyl-…
| 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) | 0.59 | 4.53 | -47.86 | 3 | 4 | 1 | 49 | 241.384 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.59 | 4.13 | -5.83 | 2 | 4 | 0 | 47 | 240.376 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.59 | 4.66 | -105.2 | 4 | 4 | 2 | 50 | 242.392 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
