In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 19 | Yes |
Popular Name: N-(indolin-5-ylmethyl)-N',N'-dimethyl-N-propyl-ethane-1,2-diamine N-(indolin-5-ylmethyl)-N',N'-dim…
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) | 2.48 | 6.85 | -34.51 | 2 | 3 | 1 | 20 | 262.421 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 4.37 | -3.12 | 1 | 3 | 0 | 19 | 261.413 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 6.48 | -33.85 | 2 | 3 | 1 | 20 | 262.421 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.48 | 8.93 | -111.74 | 3 | 3 | 2 | 21 | 263.429 | 7 | ↓ |