| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 18 | Yes |
Popular Name: (3S)-3-(aminomethyl)-4-(4-tert-butylphenyl)-3H-1,2,4-triazol-5-one (3S)-3-(aminomethyl)-4-(4-tert-b…
| 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) | 1.37 | 4.57 | -55.13 | 4 | 5 | 1 | 78 | 247.322 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 4.19 | -9.25 | 3 | 5 | 0 | 77 | 246.314 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
