In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2009 | 29 | 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) | 3.00 | 6.76 | -47.88 | 0 | 7 | -1 | 87 | 392.435 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | 8.53 | -10.88 | 1 | 7 | 0 | 84 | 393.443 | 6 | ↓ |