In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 36 | 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) | 3.21 | 12.15 | -16.4 | 0 | 6 | 0 | 53 | 509.647 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 14.49 | -49.53 | 1 | 6 | 1 | 54 | 510.655 | 10 | ↓ |