In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 18 | Yes |
Popular Name: (1S)-N-cycloheptyl-N-methyl-1-(5-methyl-2-thienyl)ethane-1,2-diamine (1S)-N-cycloheptyl-N-methyl-1-(5…
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) | 3.26 | 5.45 | -44.18 | 3 | 2 | 1 | 31 | 267.462 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.26 | 4.98 | -1.75 | 2 | 2 | 0 | 29 | 266.454 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.26 | 7.47 | -126.09 | 4 | 2 | 2 | 32 | 268.47 | 4 | ↓ |