UCSF

ZINC20118376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 Yes

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) 3.20 6.58 -36.69 1 3 1 17 290.214 4
Mid Mid (pH 6-8) 3.20 6.46 -39.79 1 3 1 17 290.214 4
Mid Mid (pH 6-8) 3.20 4.2 -4.58 0 3 0 16 289.206 4

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

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