UCSF

ZINC66443159

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.39 0.51 -39.63 2 7 -1 111 301.326 3
Lo Low (pH 4.5-6) 0.93 2.46 -11.79 3 7 0 108 302.334 3

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

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