UCSF

ZINC71572007

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 19 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) 2.64 6.16 -23.76 1 6 0 83 255.233 2
Hi High (pH 8-9.5) 2.64 6.92 -61.52 0 6 -1 86 254.225 2
Lo Low (pH 4.5-6) 2.64 6.59 -38.5 2 6 1 85 256.241 2

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

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