In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 22 | Yes |
Popular Name: 5-chloro-2-[(3S)-1-(2-pyridylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole 5-chloro-2-[(3S)-1-(2-pyridylmet…
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) | 2.98 | 4.58 | -8.58 | 0 | 4 | 0 | 42 | 313.788 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 4.86 | -34.32 | 1 | 4 | 1 | 43 | 314.796 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 7.09 | -38.66 | 1 | 4 | 1 | 43 | 314.796 | 3 | ↓ |