In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2009 | 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) | 3.26 | 8.1 | -43.52 | 0 | 7 | -1 | 89 | 420.42 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 9.88 | -11.04 | 1 | 7 | 0 | 86 | 421.428 | 6 | ↓ |