In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2005 | 25 | 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) | 2.59 | 3.18 | -60.69 | 2 | 5 | 1 | 99 | 334.378 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 3.01 | -116.07 | 3 | 5 | 2 | 101 | 335.386 | 1 | ↓ |