UCSF

ZINC39971921

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 21 No

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Annotations

Vendors

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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) 2.16 2.14 -9.89 1 6 0 67 306.391 3
Lo Low (pH 4.5-6) 2.16 3.99 -48.26 2 6 1 69 307.399 3

Activity (Go SEA)

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