In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2004 | 31 | Yes |
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) | 2.49 | 10.97 | -15.85 | 0 | 6 | 0 | 87 | 428.525 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.07 | 10.92 | -43 | 0 | 6 | -1 | 93 | 427.517 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.66 | 9.81 | -119.92 | 0 | 6 | -2 | 99 | 426.509 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.66 | 8.88 | -51.9 | 1 | 6 | -1 | 96 | 427.517 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.66 | 8.06 | -43.87 | 1 | 6 | -1 | 96 | 427.517 | 5 | ↓ |