In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2008 | 30 | 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) | 3.01 | 7.36 | -105.79 | 0 | 8 | -2 | 124 | 406.394 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 9.79 | -53.13 | 1 | 8 | -1 | 121 | 407.402 | 5 | ↓ |