UCSF

ZINC40127624

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 5.54 10.78 -57.73 1 7 -1 97 518.561 12
Lo Low (pH 4.5-6) 5.54 10.02 -17.31 2 7 0 94 519.569 12

Activity (Go SEA)

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