In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 35 | 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) | 3.67 | 10.62 | -38.92 | 1 | 7 | 1 | 61 | 475.544 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 9.93 | -22.55 | 0 | 7 | 0 | 59 | 474.536 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 12.11 | -66.17 | 1 | 7 | 1 | 61 | 475.544 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 12.85 | -113.71 | 2 | 7 | 2 | 62 | 476.552 | 6 | ↓ |