In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 20 | Yes |
Popular Name: (3S,4S)-N3-methyl-N3-[(1R,2S)-2-methylcyclohexyl]chromane-3,4-diamine (3S,4S)-N3-methyl-N3-[(1R,2S)-2-…
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) | 1.46 | 6.75 | -34.82 | 3 | 3 | 1 | 40 | 275.416 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.46 | 7.24 | -128.78 | 4 | 3 | 2 | 41 | 276.424 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.46 | 5.29 | -2.64 | 2 | 3 | 0 | 38 | 274.408 | 2 | ↓ |