UCSF

ZINC46620198

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 3.85 9.25 -20.75 2 5 0 75 405.589 7
Hi High (pH 8-9.5) 4.31 6.79 -58.89 1 5 -1 78 404.581 7

Activity (Go SEA)

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