In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 35 | No |
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) | 6.36 | 12.37 | -42 | 2 | 9 | 1 | 99 | 519.409 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.36 | 11.27 | -22.26 | 1 | 9 | 0 | 97 | 518.401 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.36 | 13.04 | -96.68 | 3 | 9 | 2 | 100 | 520.417 | 7 | ↓ |