In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: (2S)-N2,N2,4-trimethyl-N1-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]pentane-1,2-diamine (2S)-N2,N2,4-trimethyl-N1-[(4S)-…
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) | 1.64 | 6.81 | -38.7 | 2 | 4 | 1 | 34 | 279.452 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 4.92 | -6.18 | 1 | 4 | 0 | 33 | 278.444 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.65 | 8.23 | -120.72 | 3 | 4 | 2 | 39 | 280.46 | 6 | ↓ |