UCSF

ZINC40048620

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 29 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) 3.24 6.19 -58.71 1 6 -1 90 459.316 7
Lo Low (pH 4.5-6) 3.24 5.44 -15.03 2 6 0 87 460.324 7

Activity (Go SEA)

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