In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 27 | 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) | 2.80 | 10.7 | -16.12 | 0 | 7 | 0 | 71 | 364.405 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 11.22 | -36.62 | 1 | 7 | 1 | 72 | 365.413 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.80 | 11.02 | -41.34 | 1 | 7 | 1 | 72 | 365.413 | 5 | ↓ |