UCSF

ZINC40102397

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 5.73 13.57 -63.81 0 7 -1 88 526.609 13
Lo Low (pH 4.5-6) 5.73 12.81 -18.87 1 7 0 85 527.617 13

Activity (Go SEA)

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