UCSF

ZINC62609101

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 16 Yes

Popular Name: (3R)-3-methyl-1-[(1S)-1-phenylethyl]-1,4-diazepane (3R)-3-methyl-1-[(1S)-1-phenylet…

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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) 2.55 6.44 -28.4 2 2 1 16 219.352 2 ↓
Lo Low (pH 4.5-6) 2.55 6.07 -33.98 2 2 1 20 219.352 2 ↓

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

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