In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 31 | 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) | 3.52 | 14.62 | -101.28 | 2 | 5 | 2 | 38 | 421.633 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.52 | 12.27 | -41.76 | 1 | 5 | 1 | 37 | 420.625 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.52 | 14.99 | -177.99 | 3 | 5 | 3 | 39 | 422.641 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.52 | 12.65 | -82.15 | 2 | 5 | 2 | 38 | 421.633 | 4 | ↓ |