In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 21 | Yes |
Popular Name: (3S)-6-bromo-3-[(1-isopropyl-4-piperidyl)amino]indolin-2-one (3S)-6-bromo-3-[(1-isopropyl-4-p…
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 | 4.47 | -42.72 | 3 | 4 | 1 | 49 | 353.284 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 5.5 | -37.08 | 3 | 4 | 1 | 46 | 353.284 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 3.25 | -5.01 | 2 | 4 | 0 | 44 | 352.276 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | 6.72 | -112.78 | 4 | 4 | 2 | 50 | 354.292 | 3 | ↓ |