UCSF

ZINC53634666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 2.28 6.24 -26.34 2 6 0 73 361.43 3
Lo Low (pH 4.5-6) -1.70 6.86 -58.29 2 6 1 73 362.438 3
Lo Low (pH 4.5-6) -1.70 7.32 -96.2 3 6 2 74 363.446 3

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

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