In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 33 | Yes |
Popular Name: 2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[5-(1-piperidylsulfonyl)indolin-1-yl]ethanone 2-[(5-phenyl-4H-1,2,4-triazol-3-…
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) | 3.66 | 10.02 | -26.42 | 1 | 8 | 0 | 99 | 483.619 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 9.86 | -51.57 | 0 | 8 | -1 | 98 | 482.611 | 6 | ↓ |