In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | Yes |
Popular Name: N-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]propan-1-amine N-[(1S)-2-imidazol-1-yl-1-phenyl…
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) | 2.24 | 9.25 | -43.36 | 2 | 3 | 1 | 34 | 230.335 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.24 | 8.09 | -6.26 | 1 | 3 | 0 | 30 | 229.327 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 9.76 | -105.62 | 3 | 3 | 2 | 36 | 231.343 | 6 | ↓ |