UCSF

ZINC40025993

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 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) 3.17 6.73 -55.65 1 6 -1 90 443.273 6
Lo Low (pH 4.5-6) 3.17 5.97 -14.48 2 6 0 87 444.281 6

Activity (Go SEA)

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