UCSF

ZINC65502292

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 28 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) 1.68 7.11 -47.88 1 7 1 55 390.552 5
Mid Mid (pH 6-8) 1.68 7.21 -35.21 1 7 1 55 390.552 5
Mid Mid (pH 6-8) 1.68 4.94 -9.5 0 7 0 54 389.544 5
Mid Mid (pH 6-8) 1.68 9.39 -83.58 2 7 2 56 391.56 5

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

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