In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 28th, 2008 | 23 | 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) | 3.48 | 8.59 | -8.05 | 1 | 3 | 0 | 42 | 312.457 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.48 | 9.05 | -42.49 | 2 | 3 | 1 | 43 | 313.465 | 3 | ↓ |