In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 28 | 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) | 3.95 | 11.76 | -45.88 | 2 | 5 | 1 | 55 | 390.536 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.95 | 9.24 | -10.25 | 1 | 5 | 0 | 54 | 389.528 | 5 | ↓ |