In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 27 | 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) | 1.90 | 3.73 | -16.25 | 2 | 7 | 0 | 98 | 422.509 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 4.62 | -61.2 | 1 | 7 | -1 | 100 | 421.501 | 5 | ↓ |