UCSF

ZINC39761796

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 27 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) 4.47 8.6 -23.14 2 6 0 84 441.727 5
Hi High (pH 8-9.5) 4.54 6.93 -60.26 1 6 -1 90 440.719 5

Activity (Go SEA)

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