In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2011 | 19 | No |
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) | 4.12 | 11.59 | -100.64 | 3 | 3 | 2 | 36 | 265.445 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.12 | 10.86 | -47.24 | 2 | 3 | 1 | 34 | 264.437 | 9 | ↓ |