UCSF

ZINC71540166

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 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) 1.96 8.86 -53.29 1 6 -1 90 361.443 9
Lo Low (pH 4.5-6) 1.96 6.88 -16.25 2 6 0 87 362.451 9

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

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