UCSF

ZINC40019437

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 39 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) 5.33 12.24 -80.14 2 8 0 104 538.685 15
Lo Low (pH 4.5-6) 5.33 11.49 -59.07 3 8 1 101 539.693 15

Activity (Go SEA)

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