| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 20 | Yes |
Popular Name: (3S)-3-(aminomethyl)-4-(2-phenylphenyl)-3H-1,2,4-triazol-5-one (3S)-3-(aminomethyl)-4-(2-phenyl…
| 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) | 1.63 | 5.86 | -53.91 | 4 | 5 | 1 | 78 | 267.312 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 5.47 | -11.51 | 3 | 5 | 0 | 77 | 266.304 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
