In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (3R,4R)-N3-(1-ethylpropyl)-N3-methyl-N4-propyl-chromane-3,4-diamine (3R,4R)-N3-(1-ethylpropyl)-N3-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) | 4.19 | 7.65 | -34.42 | 2 | 3 | 1 | 29 | 291.459 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.19 | 7.01 | -2.4 | 1 | 3 | 0 | 24 | 290.451 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.19 | 9.26 | -114.2 | 3 | 3 | 2 | 30 | 292.467 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.19 | 8.19 | -34.26 | 2 | 3 | 1 | 26 | 291.459 | 7 | ↓ |