UCSF

ZINC40116677

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 3.86 7.98 -56.19 1 5 -1 78 370.384 5
Lo Low (pH 4.5-6) 3.86 7.21 -12.78 2 5 0 76 371.392 5

Activity (Go SEA)

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