In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 34 | 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) | 4.53 | 14.99 | -47.14 | 1 | 5 | 1 | 56 | 476.597 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.53 | 12.73 | -15.9 | 0 | 5 | 0 | 55 | 475.589 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.53 | 15.38 | -98.45 | 2 | 5 | 2 | 57 | 477.605 | 6 | ↓ |