UCSF

ZINC32105104

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 15 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) -0.38 1.49 -32.21 3 6 0 98 228.277 5
Hi High (pH 8-9.5) -0.19 0.42 -55.83 2 6 -1 104 227.269 5

Activity (Go SEA)

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