In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2006 | 29 | No |
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) | 2.08 | 5.23 | -67.18 | 1 | 7 | -1 | 99 | 396.419 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.52 | -1.62 | -18.16 | 2 | 7 | 0 | 96 | 397.427 | 7 | ↓ |