UCSF

ZINC41540325

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.98 9.42 -65.4 0 7 -1 96 394.403 6
Lo Low (pH 4.5-6) 2.98 8.68 -19.23 1 7 0 93 395.411 6

Activity (Go SEA)

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