In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2011 | 21 | Yes |
Popular Name: (3R,4S)-N3-(3-methoxypropyl)-N3-methyl-N4-propyl-chromane-3,4-diamine (3R,4S)-N3-(3-methoxypropyl)-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) | 2.70 | 4.8 | -37.59 | 2 | 4 | 1 | 38 | 293.431 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 4.37 | -3.72 | 1 | 4 | 0 | 34 | 292.423 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 6.71 | -36.58 | 2 | 4 | 1 | 35 | 293.431 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.