In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2008 | 30 | 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) | 1.73 | 5.52 | -59.06 | 2 | 8 | 1 | 97 | 432.522 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 3.04 | -23.24 | 1 | 8 | 0 | 96 | 431.514 | 7 | ↓ |