In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 15 | Yes |
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) | 2.71 | 6.4 | -9.15 | 2 | 3 | 0 | 44 | 221.691 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.71 | 6.21 | -23.42 | 3 | 3 | 1 | 45 | 222.699 | 1 | ↓ |