UCSF

ZINC52424091

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 15 Yes

Popular Name: N-[(2S)-2-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopropanamine N-[(2S)-2-(4-methyl-1,4-diazepan…

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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) 0.98 5.67 -85.88 3 3 2 24 213.369 4 ↓
Hi High (pH 8-9.5) 0.98 3.82 -33.53 2 3 1 23 212.361 4 ↓

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

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