In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2006 | 29 | 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) | 2.55 | 8.95 | -61.19 | 0 | 7 | -1 | 96 | 392.387 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.96 | 8.38 | -14.06 | 0 | 7 | 0 | 90 | 393.395 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 7.98 | -14.76 | 1 | 7 | 0 | 93 | 393.395 | 6 | ↓ |