UCSF

ZINC40055046

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 38 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) 3.85 7.26 -67.49 1 8 -1 108 520.533 11
Lo Low (pH 4.5-6) 3.85 6.48 -19.49 2 8 0 106 521.541 11

Activity (Go SEA)

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