UCSF

ZINC69706969

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 Yes

Popular Name: (2S)-2-allyloxy-1-[4-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one (2S)-2-allyloxy-1-[4-[(5-chloro-…

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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) 1.18 7.39 -17.22 0 6 0 51 340.855 6 ↓
Mid Mid (pH 6-8) 1.18 9.27 -53.43 1 6 1 52 341.863 6 ↓
Mid Mid (pH 6-8) 1.18 7.62 -37.82 1 6 1 52 341.863 6 ↓
Lo Low (pH 4.5-6) 1.18 9.46 -117.45 2 6 2 53 342.871 6 ↓

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Rings

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

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