In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 35 | 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) | 4.20 | 8.21 | -45.81 | 4 | 7 | 1 | 88 | 476.597 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.20 | 6.1 | -15.62 | 3 | 7 | 0 | 87 | 475.589 | 4 | ↓ |