In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2011 | 20 | Yes |
Popular Name: (2S)-2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-phenyl-propan-1-ol (2S)-2-amino-3-(6,8-dihydro-5H-i…
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) | 0.20 | 2.8 | -95.96 | 5 | 5 | 2 | 70 | 274.368 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.20 | 2.23 | -9.12 | 3 | 5 | 0 | 67 | 272.352 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.20 | 2.7 | -28.58 | 4 | 5 | 1 | 69 | 273.36 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.