UCSF

ZINC40084834

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 34 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) 4.21 9.25 -62.18 1 7 -1 99 466.554 11
Lo Low (pH 4.5-6) 4.21 8.37 -13.71 2 7 0 96 467.562 11

Activity (Go SEA)

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