UCSF

ZINC68948565

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 15 Yes

Popular Name: (2S)-N-cyclopropyl-N'-(cyclopropylmethyl)-N'-ethyl-2-methyl-propane-1,3-diamine (2S)-N-cyclopropyl-N'-(cycloprop…

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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) 2.49 8.67 -95.92 3 2 2 21 212.381 8 ↓
Mid Mid (pH 6-8) 2.49 6.48 -34.43 2 2 1 20 211.373 8 ↓

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

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