In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (3S,4R)-N4-ethyl-N3-isopentyl-N3-methyl-chromane-3,4-diamine (3S,4R)-N4-ethyl-N3-isopentyl-N3…
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) | 3.60 | 6.23 | -35.25 | 2 | 3 | 1 | 29 | 277.432 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.60 | 6.06 | -2.58 | 1 | 3 | 0 | 24 | 276.424 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.60 | 8.57 | -119.75 | 3 | 3 | 2 | 30 | 278.44 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.60 | 8.33 | -35.53 | 2 | 3 | 1 | 26 | 277.432 | 6 | ↓ |