UCSF

ZINC52855542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.89 7.6 -13.38 2 5 0 62 255.325 4
Mid Mid (pH 6-8) 0.89 8.41 -84.99 4 5 2 64 257.341 4
Mid Mid (pH 6-8) 0.89 7.9 -34.36 3 5 1 63 256.333 4
Mid Mid (pH 6-8) 0.89 8.12 -46.12 3 5 1 63 256.333 4

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

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