In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2007 | 31 | 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) | 2.30 | 7.1 | -48.17 | 1 | 8 | -1 | 112 | 428.461 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.75 | 5.44 | -28.1 | 2 | 8 | 0 | 109 | 429.469 | 9 | ↓ |