In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 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) | 5.62 | 13.59 | -9.17 | 0 | 4 | 0 | 32 | 394.522 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.62 | 13.91 | -24.46 | 1 | 4 | 1 | 34 | 395.53 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.62 | 13.92 | -24.73 | 1 | 4 | 1 | 34 | 395.53 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.62 | 16.12 | -100.08 | 2 | 4 | 2 | 35 | 396.538 | 4 | ↓ |