In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 26 | 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) | 5.04 | 12.88 | -157.31 | 0 | 6 | -2 | 99 | 358.39 | 10 | ↓ |
Lo Low (pH 4.5-6) | 5.04 | 10.8 | -61.19 | 1 | 6 | -1 | 96 | 359.398 | 10 | ↓ |