In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 20 | Yes |
Popular Name: (4S)-1-(4-imidazol-1-ylbutyl)-2-methyl-4,5,6,7-tetrahydroindol-4-amine (4S)-1-(4-imidazol-1-ylbutyl)-2-…
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) | -0.40 | 9.76 | -79.45 | 4 | 4 | 2 | 52 | 274.412 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.40 | 8.94 | -10.15 | 2 | 4 | 0 | 49 | 272.396 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.40 | 9.25 | -45.35 | 3 | 4 | 1 | 50 | 273.404 | 5 | ↓ |