| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 19 | Yes |
Popular Name: (2S)-N-(1H-imidazol-5-ylmethyl)-4-methyl-2-morpholino-pentan-1-amine (2S)-N-(1H-imidazol-5-ylmethyl)-…
| 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) | 1.24 | 3.39 | -34.97 | 3 | 5 | 1 | 54 | 267.397 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 2.9 | -6.61 | 2 | 5 | 0 | 53 | 266.389 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 4.09 | -41.39 | 3 | 5 | 1 | 58 | 267.397 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 4.98 | -89.52 | 4 | 5 | 2 | 56 | 268.405 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
