UCSF

ZINC37079683

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Popular Name: (1S)-1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-cyclopropyl-N-ethyl-ethane-1,2-diamine (1S)-1-(6-chloro-3,4-dihydro-2H-…

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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) 2.05 6.57 -133.17 4 4 2 51 312.841 5 ↓
Mid Mid (pH 6-8) 2.05 4.72 -52.06 3 4 1 49 311.833 5 ↓
Mid Mid (pH 6-8) 2.05 6.19 -33.96 3 4 1 49 311.833 5 ↓

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Rings

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

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