UCSF

ZINC53488712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 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) 3.03 8.55 -110.35 3 3 2 34 252.402 5
Mid Mid (pH 6-8) 3.03 8.01 -38.14 2 3 1 33 251.394 5
Mid Mid (pH 6-8) 3.03 7.46 -29.98 2 3 1 30 251.394 5

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

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