In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2007 | 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) | 3.24 | -3.45 | -12.74 | 1 | 9 | 0 | 101 | 457.604 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.24 | -3.17 | -41.88 | 2 | 9 | 1 | 102 | 458.612 | 6 | ↓ |