In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 31 | 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) | -4.33 | 2.4 | -144.77 | 15 | 13 | 2 | 253 | 445.569 | 17 | ↓ |
Mid Mid (pH 6-8) | -4.33 | 2.13 | -108.4 | 14 | 13 | 1 | 252 | 444.561 | 17 | ↓ |
Mid Mid (pH 6-8) | -4.50 | 0.9 | -86.96 | 14 | 13 | 1 | 256 | 444.561 | 15 | ↓ |