UCSF

ZINC69795223

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 Yes

Popular Name: N'-cyclopropyl-N'-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethane-1,2-diamine N'-cyclopropyl-N'-methyl-N-[(4-m…

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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) 0.81 3.13 -45.2 2 5 1 55 211.289 6 ↓
Hi High (pH 8-9.5) 0.81 0.67 -9.42 1 5 0 54 210.281 6 ↓
Mid Mid (pH 6-8) 0.81 2.04 -54.44 2 5 1 59 211.289 6 ↓
Mid Mid (pH 6-8) 0.81 4.49 -130.88 3 5 2 60 212.297 6 ↓

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Rings

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

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