In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 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) | -0.02 | 0.88 | -13.45 | 1 | 8 | 0 | 75 | 421.538 | 10 | ↓ |
Mid Mid (pH 6-8) | -0.02 | 3.18 | -53.96 | 2 | 8 | 1 | 76 | 422.546 | 10 | ↓ |
Lo Low (pH 4.5-6) | -0.02 | 3.19 | -58.16 | 2 | 8 | 1 | 76 | 422.546 | 10 | ↓ |