UCSF

ZINC40085830

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 30 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) 3.31 7.42 -58.79 1 6 -1 90 406.458 8
Lo Low (pH 4.5-6) 3.31 6.66 -13.21 2 6 0 87 407.466 8

Activity (Go SEA)

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