In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 25th, 2010 | 29 | 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) | 2.71 | 6.96 | -12.6 | 1 | 7 | 0 | 73 | 406.571 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.71 | 9.16 | -47.46 | 2 | 7 | 1 | 74 | 407.579 | 6 | ↓ |