UCSF

ZINC40047306

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 32 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) 4.44 8.78 -61.93 1 6 -1 90 436.528 11
Lo Low (pH 4.5-6) 4.44 8.01 -14.83 2 6 0 87 437.536 11

Activity (Go SEA)

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