In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2006 | 27 | 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) | 4.31 | -2.18 | -12.33 | 1 | 5 | 0 | 64 | 383.469 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.31 | -1.6 | -44.68 | 0 | 5 | -1 | 66 | 382.461 | 7 | ↓ |