In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N2-cyclopropyl-N2-isobutyl-N1-propyl-indane-1,2-diamine (1S,2S)-N2-cyclopropyl-N2-isobut…
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) | 4.06 | 11.43 | -106.98 | 3 | 2 | 2 | 21 | 288.479 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.05 | 9.56 | -0.93 | 1 | 2 | 0 | 15 | 286.463 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.06 | 10.14 | -29.83 | 2 | 2 | 1 | 16 | 287.471 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.06 | 9.17 | -36.76 | 2 | 2 | 1 | 20 | 287.471 | 7 | ↓ |