In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2007 | 37 | No |
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) | 2.78 | 7.47 | -60.73 | 0 | 9 | -1 | 101 | 509.579 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 1.12 | -54.1 | 1 | 9 | 1 | 95 | 511.595 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 9.8 | -75.89 | 1 | 9 | 0 | 102 | 510.587 | 10 | ↓ |