In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 30 | Yes |
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) | 6.20 | 14.93 | -37.18 | 1 | 3 | 1 | 23 | 404.574 | 11 | ↓ |
Hi High (pH 8-9.5) | 6.20 | 12.54 | -7.01 | 0 | 3 | 0 | 22 | 403.566 | 11 | ↓ |