| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2010 | 8 | Yes |
Popular Name: 2,3-Diaminobutanoic acid 2,3-Diaminobutanoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 121054-30-6 , 2643-66-5
| 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) | -3.83 | -1.67 | -69.03 | 6 | 4 | 1 | 95 | 119.144 | 2 | ↓ |
| Hi High (pH 8-9.5) | -3.83 | -2.17 | -45.79 | 4 | 4 | -1 | 92 | 117.128 | 2 | ↓ |
| Hi High (pH 8-9.5) | -3.83 | -1.98 | -39.76 | 5 | 4 | 0 | 94 | 118.136 | 2 | ↓ |
| Mid Mid (pH 6-8) | -3.83 | -1.94 | -36.35 | 5 | 4 | 0 | 94 | 118.136 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.