In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2007 | 33 | 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) | 3.73 | 10.27 | -65 | 0 | 8 | -1 | 105 | 447.467 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 10.15 | -25.11 | 1 | 8 | 0 | 102 | 448.475 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 10.43 | -15.74 | 0 | 8 | 0 | 99 | 448.475 | 7 | ↓ |