In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 29 | 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) | 2.21 | 4.93 | -48.72 | 2 | 8 | 1 | 89 | 411.511 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 2.57 | -10.64 | 1 | 8 | 0 | 87 | 410.503 | 6 | ↓ |