In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 23 | Yes |
Popular Name: (3S,4S)-1-(4,6-dimethyl-2-quinolyl)-4-pyrrolidin-1-yl-pyrrolidin-3-ol (3S,4S)-1-(4,6-dimethyl-2-quinol…
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) | 3.13 | 8.27 | -85.27 | 3 | 4 | 2 | 42 | 313.445 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 5.44 | -8.91 | 1 | 4 | 0 | 40 | 311.429 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.13 | 7.89 | -36.57 | 2 | 4 | 1 | 41 | 312.437 | 2 | ↓ |