In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 30 | 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) | 2.12 | 8.73 | -47.09 | 1 | 7 | 1 | 63 | 413.542 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 8.74 | -45.6 | 1 | 7 | 1 | 63 | 413.542 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 6.42 | -8.31 | 0 | 7 | 0 | 62 | 412.534 | 7 | ↓ |