UCSF

ZINC32235995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 14 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) 2.77 6.02 -8.05 2 2 0 39 204.298 1
Lo Low (pH 4.5-6) 2.77 6.31 -29.29 3 2 1 40 205.306 1

Activity (Go SEA)

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