UCSF

ZINC69485169

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 21 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) 1.50 6.87 -30.35 2 4 1 43 284.383 4
Hi High (pH 8-9.5) 1.50 6.41 -10.42 1 4 0 41 283.375 4
Lo Low (pH 4.5-6) 1.50 8.73 -41.98 2 4 1 42 284.383 4

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

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