In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2009 | 29 | 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) | 1.94 | 10.01 | -12.27 | 0 | 7 | 0 | 63 | 429.571 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.94 | 12.3 | -50.51 | 1 | 7 | 1 | 65 | 430.579 | 7 | ↓ |