In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2011 | 26 | No |
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) | 3.38 | 6.95 | -16.19 | 2 | 5 | 0 | 86 | 377.506 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.38 | 7.33 | -48.4 | 1 | 5 | -1 | 84 | 376.498 | 3 | ↓ |