In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 16 | 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) | 0.99 | 6.76 | -7.91 | 1 | 3 | 0 | 30 | 211.268 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 7.27 | -33.08 | 2 | 3 | 1 | 31 | 212.276 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 8.14 | -50.66 | 2 | 3 | 1 | 34 | 212.276 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.99 | 8.65 | -87.72 | 3 | 3 | 2 | 36 | 213.284 | 4 | ↓ |