UCSF

ZINC06621973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 28 No

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Annotations

Vendors

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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) 4.16 16.46 -45.84 2 4 1 34 417.961 9
Mid Mid (pH 6-8) 4.16 15.95 -17.75 1 4 0 33 416.953 9

Activity (Go SEA)

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