UCSF

ZINC53650352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 17 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) 0.52 3.88 -28.36 2 4 1 38 243.371 7
Hi High (pH 8-9.5) 0.52 2.71 -2.61 1 4 0 34 242.363 7
Mid Mid (pH 6-8) 0.52 5.84 -97.73 3 4 2 40 244.379 7
Mid Mid (pH 6-8) 0.52 4.99 -27.2 2 4 1 35 243.371 7

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

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