In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 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) | 0.98 | 4.53 | -19.8 | 2 | 9 | 0 | 99 | 413.457 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.98 | 6.84 | -58.14 | 3 | 9 | 1 | 100 | 414.465 | 7 | ↓ |