UCSF

ZINC05735400

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 13 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) -2.06 -6.84 -10.03 5 6 0 118 194.183 5
Hi High (pH 8-9.5) -2.92 -5.79 -55.39 4 6 -1 121 193.175 5

Activity (Go SEA)

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