In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2006 | 29 | Yes |
None
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) | 2.87 | 4.17 | -14.32 | 3 | 7 | 0 | 99 | 393.443 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.87 | 4.93 | -53.13 | 2 | 7 | -1 | 102 | 392.435 | 7 | ↓ |