UCSF

ZINC37052167

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) -1.24 4.65 -13.62 2 7 0 105 284.275 3
Lo Low (pH 4.5-6) -1.24 4.95 -55.86 3 7 1 107 285.283 3

Activity (Go SEA)

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