UCSF

ZINC79494078

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2012 20 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) 0.16 4.37 -14.67 1 7 0 90 295.32 4
Lo Low (pH 4.5-6) 0.16 4.86 -43.37 2 7 1 91 296.328 4

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

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