| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2006 | 19 | Yes |
(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(1H-imidazol-5-yl)propanoate
Boc-L-Histidine Methylester [2488-14-4]; (Boc-His-OMe)
None
| 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) | 2.81 | 4.49 | -14.32 | 2 | 7 | 0 | 93 | 269.301 | 7 | ↓ |
| Ref Reference (pH 7) | 2.81 | 4.96 | -45.16 | 3 | 7 | 1 | 95 | 270.309 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.81 | 4.45 | -14.18 | 2 | 7 | 0 | 93 | 269.301 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.81 | 4.95 | -45.23 | 3 | 7 | 1 | 95 | 270.309 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 123.5-124.5o C | Indofine |
No pre-computed analogs available. Try a structural similarity search.