In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 13 | Yes |
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) | 0.26 | 3.66 | -97.81 | 3 | 3 | 2 | 29 | 186.299 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.26 | 1.21 | -32.88 | 2 | 3 | 1 | 28 | 185.291 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.26 | 1.25 | -30.23 | 2 | 3 | 1 | 28 | 185.291 | 3 | ↓ |