In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 6th, 2007 | 27 | 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) | 6.55 | 14.37 | -10.14 | 1 | 2 | 0 | 29 | 346.433 | 3 | ↓ |
Mid Mid (pH 6-8) | 6.55 | 14.5 | -26.9 | 2 | 2 | 1 | 30 | 347.441 | 3 | ↓ |
Mid Mid (pH 6-8) | 6.55 | 14.44 | -26.76 | 2 | 2 | 1 | 30 | 347.441 | 3 | ↓ |