In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 20 | Yes |
Popular Name: (8R,9S)-N8-cyclopentyl-N8-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-8,9-diamine (8R,9S)-N8-cyclopentyl-N8-ethyl-…
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) | 2.00 | 9.13 | -112.98 | 4 | 2 | 2 | 32 | 274.452 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.00 | 6.89 | -1.41 | 2 | 2 | 0 | 29 | 272.436 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.00 | 9.09 | -32.53 | 3 | 2 | 1 | 30 | 273.444 | 3 | ↓ |