UCSF

ZINC41130939

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 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) 2.45 5.39 -52.29 0 5 -1 74 344.21 5
Lo Low (pH 4.5-6) 2.45 5.41 -13.43 1 5 0 72 345.218 5

Activity (Go SEA)

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