UCSF

ZINC59818529

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 35 No

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) 6.27 20.23 -5.67 0 0 0 0 492.583 6
Lo Low (pH 4.5-6) 6.27 21.01 -101.44 0 0 2 0 494.599 6
Lo Low (pH 4.5-6) 6.27 20.6 -31.03 0 0 1 0 493.591 6

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

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