UCSF

ZINC38933871

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2010 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) 4.05 5.82 -21.19 1 8 0 114 392.293 5
Hi High (pH 8-9.5) 4.12 3.21 -49.01 0 8 -1 120 391.285 5

Activity (Go SEA)

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