In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2004 | 28 | 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) | 2.54 | 7.26 | -14.15 | 2 | 7 | 0 | 97 | 397.456 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 6.06 | -42.64 | 1 | 7 | -1 | 99 | 396.448 | 7 | ↓ |