UCSF

ZINC22094920

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 Yes

Popular Name: (1S)-N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3,4-dimethoxyphenyl)-N,N-dimethyl-ethane-1,2-dia (1S)-N'-(2,3-dihydro-1,4-benzodi…

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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) 2.26 7.15 -49.26 2 6 1 53 373.473 8 ↓
Hi High (pH 8-9.5) 2.26 4.87 -10.36 1 6 0 52 372.465 8 ↓
Mid Mid (pH 6-8) 2.26 6.19 -52.63 2 6 1 57 373.473 8 ↓

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