In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2009 | 16 | 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) | 2.05 | 3.74 | -48.72 | 5 | 3 | 1 | 67 | 254.766 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 3.8 | -57.11 | 4 | 3 | 0 | 64 | 253.758 | 3 | ↓ |