UCSF

ZINC61455673

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 14 Yes

Popular Name: N1-(cyclobutylmethyl)-N1-methyl-benzene-1,2-diamine N1-(cyclobutylmethyl)-N1-methyl-…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.52 6.7 -1.93 2 2 0 29 190.29 3 ↓
Lo Low (pH 4.5-6) 2.52 6.56 -29.31 3 2 1 30 191.298 3 ↓
Lo Low (pH 4.5-6) 2.52 6.46 -38.73 3 2 1 31 191.298 3 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.