UCSF

ZINC39231002

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 31 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) 3.33 13.04 -18.74 0 6 0 58 418.541 8
Mid Mid (pH 6-8) 3.33 12.16 -35.27 1 6 1 59 419.549 8
Lo Low (pH 4.5-6) 3.33 14.35 -106.15 2 6 2 60 420.557 8

Activity (Go SEA)

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