In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 28 | 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) | 3.00 | 9.3 | -61.99 | 0 | 6 | -1 | 83 | 380.42 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.00 | 8.4 | -13.35 | 1 | 6 | 0 | 80 | 381.428 | 7 | ↓ |