UCSF

ZINC40102164

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 37 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) 2.60 6.48 -69.56 1 9 -1 118 508.547 15
Lo Low (pH 4.5-6) 2.60 5.72 -22.72 2 9 0 115 509.555 15

Activity (Go SEA)

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