In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 29th, 2006 | 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) | 2.74 | 7.31 | -64.21 | 1 | 6 | -1 | 94 | 419.844 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 6.02 | -22.24 | 2 | 6 | 0 | 91 | 420.852 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 6.3 | -44.41 | 3 | 6 | 1 | 92 | 421.86 | 4 | ↓ |