UCSF

ZINC64970508

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 27 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) 2.84 12.51 -48.7 1 6 1 56 378.537 9
Mid Mid (pH 6-8) 2.84 10.31 -12 0 6 0 55 377.529 9

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

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