In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 32 | 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) | 1.61 | 4.89 | -14.2 | 1 | 7 | 0 | 71 | 460.493 | 13 | ↓ |
Mid Mid (pH 6-8) | 1.61 | 7.2 | -49.42 | 2 | 7 | 1 | 73 | 461.501 | 13 | ↓ |