In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2006 | 40 | 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) | 6.10 | 2.08 | -14.4 | 0 | 8 | 0 | 92 | 549.664 | 12 | ↓ |
Mid Mid (pH 6-8) | 6.10 | 1.9 | -18.12 | 0 | 8 | 0 | 92 | 549.664 | 12 | ↓ |
Mid Mid (pH 6-8) | 6.28 | 0.98 | -15.95 | 0 | 8 | 0 | 92 | 549.664 | 12 | ↓ |