In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2010 | 26 | 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) | 2.16 | 7.02 | -23.21 | 1 | 8 | 0 | 99 | 393.494 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 5.31 | -59.51 | 0 | 8 | -1 | 105 | 392.486 | 7 | ↓ |