UCSF

ZINC59417145

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 26 No

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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) 5.15 7.26 -8.44 1 4 0 51 367.367 8
Hi High (pH 8-9.5) 5.15 9.31 -54.43 0 4 -1 54 366.359 8
Hi High (pH 8-9.5) 5.15 8.17 -45.75 0 4 -1 54 366.359 8
Lo Low (pH 4.5-6) 5.15 8.78 -31.64 2 4 1 53 368.375 8
Lo Low (pH 4.5-6) 5.15 7.69 -33.6 2 4 1 53 368.375 8

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

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