UCSF

ZINC13677699

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 26 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) 1.45 7.76 -18.04 2 9 0 114 375.325 5
Lo Low (pH 4.5-6) 1.45 8.01 -41.55 3 9 1 116 376.333 5
Lo Low (pH 4.5-6) 1.45 3.6 -39.22 3 9 1 116 376.333 5

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

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