In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 19 | Yes |
Popular Name: (3R,4S)-N3-isopentyl-N3,N4-dimethyl-chromane-3,4-diamine (3R,4S)-N3-isopentyl-N3,N4-dimet…
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) | 3.22 | 7.43 | -37.6 | 2 | 3 | 1 | 29 | 263.405 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.22 | 5.53 | -2.19 | 1 | 3 | 0 | 24 | 262.397 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.22 | 6.17 | -35.36 | 2 | 3 | 1 | 26 | 263.405 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.22 | 7.54 | -121.96 | 3 | 3 | 2 | 30 | 264.413 | 5 | ↓ |