| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 17 | No |
Popular Name: 3-[(1S)-1-amino-2-(3,4-dihydroxyphenyl)ethyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1S)-1-amino-2-(3,4-dihydroxy…
| 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) | -2.53 | -3.86 | -59.89 | 7 | 7 | 1 | 130 | 237.239 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.53 | -4.17 | -13.05 | 6 | 7 | 0 | 128 | 236.231 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
