UCSF

ZINC40025492

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 26 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) 4.31 9.55 -53.95 0 4 -1 60 387.242 5
Lo Low (pH 4.5-6) 4.31 8.8 -9.87 1 4 0 58 388.25 5

Activity (Go SEA)

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