UCSF

ZINC31846594

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 34 No

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Annotations

None

Vendors

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) 4.04 13.66 -13.56 0 6 0 53 455.558 5
Lo Low (pH 4.5-6) 4.04 15.45 -53.59 1 6 1 54 456.566 5

Activity (Go SEA)

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