UCSF

ZINC05249421

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 21 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) 1.76 -2.85 -12.55 1 8 0 117 332.338 5
Hi High (pH 8-9.5) 1.76 -2.28 -34.42 0 8 -1 119 331.33 5

Activity (Go SEA)

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