In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2010 | 27 | 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) | 2.93 | 13.12 | -36.17 | 2 | 5 | 1 | 55 | 363.485 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.93 | 12.6 | -17.23 | 1 | 5 | 0 | 54 | 362.477 | 4 | ↓ |