In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 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) | 3.33 | 13.05 | -15.72 | 1 | 7 | 0 | 76 | 406.486 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 13.52 | -37.93 | 2 | 7 | 1 | 78 | 407.494 | 8 | ↓ |