In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2005 | 27 | 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) | 4.34 | 5.98 | -8.3 | 3 | 5 | 0 | 88 | 401.228 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.34 | 6.28 | -59.95 | 4 | 5 | 1 | 89 | 402.236 | 2 | ↓ |