UCSF

ZINC53650377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 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) 1.96 8.49 -114.26 3 3 2 30 264.413 8
Hi High (pH 8-9.5) 1.96 5.34 -2.8 1 3 0 24 262.397 8
Mid Mid (pH 6-8) 1.96 6.66 -36.12 2 3 1 29 263.405 8
Mid Mid (pH 6-8) 1.96 7.15 -31.98 2 3 1 26 263.405 8

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

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