UCSF

ZINC11819677

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 30 Yes

Popular Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-[2-propylsulfonyl-3-[[(2S)-tetrahydrofuran-2-yl]methyl N-(2,1,3-benzoxadiazol-5-ylmethy…

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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) 2.42 -2.41 -66.26 1 9 1 105 434.542 9 ↓
Mid Mid (pH 6-8) 2.42 -2.14 -128.74 2 9 2 106 435.55 9 ↓

Activity (Go SEA)

Rings

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