UCSF

ZINC20260513

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 Yes

Popular Name: (1S)-2-(4-methyl-1,4-diazepan-1-yl)-1-(4-propoxyphenyl)ethanamine (1S)-2-(4-methyl-1,4-diazepan-1-…

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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) 0.55 6 -37.65 3 4 1 43 292.447 6 ↓
Hi High (pH 8-9.5) 0.55 6.55 -36.09 3 4 1 43 292.447 6 ↓
Hi High (pH 8-9.5) 0.55 4.7 -44.48 3 4 1 43 292.447 6 ↓
Hi High (pH 8-9.5) 0.55 3.95 -3.31 2 4 0 42 291.439 6 ↓

Activity (Go SEA)

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