In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 4th, 2006 | 31 | 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) | 5.04 | 11.3 | -15.99 | 1 | 7 | 0 | 74 | 417.465 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.04 | 11.74 | -30.92 | 2 | 7 | 1 | 75 | 418.473 | 6 | ↓ |