In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2008 | 32 | 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) | 3.04 | 5.49 | -15.76 | 0 | 7 | 0 | 60 | 438.524 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 7.9 | -50.21 | 1 | 7 | 1 | 62 | 439.532 | 8 | ↓ |