UCSF

ZINC52813152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.13 2 -26.68 4 5 1 65 251.354 4
Mid Mid (pH 6-8) 1.13 4.35 -90.56 5 5 2 66 252.362 4
Mid Mid (pH 6-8) 1.13 1.66 -5.43 3 5 0 63 250.346 4

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

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