UCSF

ZINC33860040

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 35 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) 2.17 13.37 -44.46 1 9 -1 135 478.525 8
Lo Low (pH 4.5-6) 2.17 13.12 -46.17 2 9 0 140 479.533 8

Activity (Go SEA)

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