In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 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) | 0.96 | 4.27 | -18.9 | 2 | 9 | 0 | 102 | 421.542 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.96 | 6.41 | -53.13 | 3 | 9 | 1 | 103 | 422.55 | 5 | ↓ |