In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 33 | 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) | 4.12 | 12.18 | -59.89 | 1 | 6 | 1 | 65 | 453.603 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.12 | 9.86 | -16.73 | 0 | 6 | 0 | 64 | 452.595 | 10 | ↓ |