UCSF

ZINC37321946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 1.51 6.26 -38.54 2 5 1 46 282.408 4
Hi High (pH 8-9.5) 1.51 3.76 -5.92 1 5 0 45 281.4 4
Lo Low (pH 4.5-6) 1.51 7.03 -116.75 3 5 2 51 283.416 4

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

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