In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 17 | Yes |
Popular Name: (3S,5R)-3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-[[(1S)-1-(4-chlorophen…
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) | 1.68 | 7.46 | -48.32 | 2 | 3 | 1 | 43 | 254.737 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 6.55 | -8.15 | 1 | 3 | 0 | 38 | 253.729 | 3 | ↓ |