In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 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) | 2.93 | 7.84 | -59.03 | 0 | 7 | -1 | 88 | 428.436 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.93 | 7.08 | -19.14 | 1 | 7 | 0 | 85 | 429.444 | 8 | ↓ |