In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 19 | Yes |
Popular Name: N,N-diisopropyl-N'-(1-prop-2-ynyl-4-piperidyl)ethane-1,2-diamine N,N-diisopropyl-N'-(1-prop-2-yny…
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) | 2.05 | 4.4 | -41.26 | 2 | 3 | 1 | 23 | 266.453 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 3.34 | -2.22 | 1 | 3 | 0 | 19 | 265.445 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 7.73 | -78.76 | 3 | 3 | 2 | 21 | 267.461 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 5.47 | -31.31 | 2 | 3 | 1 | 20 | 266.453 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 6.66 | -113.41 | 3 | 3 | 2 | 24 | 267.461 | 7 | ↓ |