In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (3S,4R)-N3-(cyclopropylmethyl)-N4-ethyl-N3-isopropyl-chromane-3,4-diamine (3S,4R)-N3-(cyclopropylmethyl)-N…
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) | 3.49 | 8.55 | -35.93 | 2 | 3 | 1 | 29 | 289.443 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.49 | 6.72 | -1.79 | 1 | 3 | 0 | 24 | 288.435 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.49 | 8.63 | -111.57 | 3 | 3 | 2 | 30 | 290.451 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.49 | 8.49 | -31.88 | 2 | 3 | 1 | 26 | 289.443 | 6 | ↓ |