UCSF

ZINC32103808

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 17 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) 3.48 5.72 -8.74 2 3 0 48 248.351 3
Lo Low (pH 4.5-6) 3.48 6.11 -31.66 3 3 1 49 249.359 3

Activity (Go SEA)

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