UCSF

ZINC40047843

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 31 No

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Annotations

Vendors

    None

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) 1.61 3.54 -62.9 3 8 -1 133 488.314 9
Lo Low (pH 4.5-6) 1.61 2.77 -22.19 4 8 0 130 489.322 9

Activity (Go SEA)

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