| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 20 | No |
Popular Name: (2S)-N1,N1-diethyl-N2-[(5R)-5-phenyl-4,5-dihydrothiazol-2-yl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(5R)-5-ph…
| 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) | 3.09 | 9.7 | -91.43 | 3 | 3 | 2 | 30 | 293.48 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 7.18 | -25.99 | 2 | 3 | 1 | 29 | 292.472 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 9.71 | -93.92 | 3 | 3 | 2 | 30 | 293.48 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 8.98 | -30.54 | 2 | 3 | 1 | 29 | 292.472 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
