In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2007 | 25 | 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) | 4.26 | 7.14 | -17.27 | 2 | 5 | 0 | 75 | 373.503 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.71 | 5.9 | -47.5 | 1 | 5 | -1 | 78 | 372.495 | 6 | ↓ |