In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2005 | 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) | 2.86 | 5.91 | -16.68 | 2 | 5 | 0 | 75 | 329.425 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.31 | 4.04 | -54.51 | 1 | 5 | -1 | 78 | 328.417 | 4 | ↓ |