In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 29 | Yes |
Popular Name: 2-[[3-cyano-4-(3-pyridyl)-1-pyrindan-2-yl]thio]acetic-acid-benzyl-ester 2-[[3-cyano-4-(3-pyridyl)-1-pyri…
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) | 4.33 | 1.86 | -11.91 | 0 | 5 | 0 | 75 | 401.491 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.33 | 1.96 | -43.58 | 1 | 5 | 1 | 77 | 402.499 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.33 | 1.96 | -44.52 | 1 | 5 | 1 | 77 | 402.499 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.33 | 2.06 | -96.87 | 2 | 5 | 2 | 78 | 403.507 | 7 | ↓ |