In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 16 | Yes |
Popular Name: N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(m-tolyl)methanamine N-[(4-methyl-1,2,4-triazol-3-yl)…
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) | 0.95 | 8 | -51.44 | 2 | 4 | 1 | 47 | 217.296 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.95 | 6.65 | -10.72 | 1 | 4 | 0 | 43 | 216.288 | 4 | ↓ |