In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 33 | 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) | -1.99 | -4.67 | -64.16 | 10 | 13 | 1 | 205 | 486.575 | 12 | ↓ |
Hi High (pH 8-9.5) | -1.26 | -5.43 | -65.48 | 8 | 13 | -1 | 201 | 484.559 | 12 | ↓ |
Mid Mid (pH 6-8) | -1.99 | -5.01 | -31.27 | 9 | 13 | 0 | 204 | 485.567 | 12 | ↓ |