In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 17 | Yes |
Popular Name: (2S)-N-isobutyl-2-[[(1R,3R)-3-methylcyclohexyl]amino]propanamide (2S)-N-isobutyl-2-[[(1R,3R)-3-me…
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) | 2.57 | 5.64 | -35.75 | 3 | 3 | 1 | 46 | 241.399 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 4.64 | -7.02 | 2 | 3 | 0 | 41 | 240.391 | 5 | ↓ |