In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2010 | 32 | 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) | 4.14 | 10.44 | -8.95 | 1 | 6 | 0 | 73 | 465.6 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.14 | 10.55 | -53.53 | 2 | 6 | 0 | 75 | 466.608 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.14 | 10.88 | -57.97 | 2 | 6 | 0 | 75 | 466.608 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.14 | 10.93 | -60.09 | 2 | 6 | 0 | 75 | 466.608 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.14 | 10.73 | -56.19 | 2 | 6 | 0 | 75 | 466.608 | 5 | ↓ |