In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 20 | Yes |
Popular Name: (4S)-4-(1-ethylpropyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (4S)-4-(1-ethylpropyl)-5-(1H-imi…
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) | 2.05 | 9.19 | -80.42 | 4 | 5 | 2 | 63 | 275.4 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 8.37 | -7.81 | 2 | 5 | 0 | 61 | 273.384 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 8.37 | -37.2 | 3 | 5 | 1 | 62 | 274.392 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 9.05 | -37.05 | 3 | 5 | 1 | 62 | 274.392 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.