UCSF

ZINC69482256

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 28 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) 1.46 0.88 -13.07 3 9 0 124 392.36 5
Hi High (pH 8-9.5) 1.46 1.94 -55.46 2 9 -1 127 391.352 5

Activity (Go SEA)

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