UCSF

ZINC56871225

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 32 No

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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) -4.45 -5.2 -246.88 7 18 -3 305 520.201 9
Mid Mid (pH 6-8) -4.45 -4.05 -387.82 6 18 -4 308 519.193 9
Mid Mid (pH 6-8) -4.45 -5.19 -247.23 7 18 -3 305 520.201 9
Lo Low (pH 4.5-6) -4.45 -4.86 -212.5 8 18 -2 307 521.209 9
Lo Low (pH 4.5-6) -4.45 -4.86 -212.6 8 18 -2 307 521.209 9

Activity (Go SEA)

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

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