UCSF

ZINC31901255

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) -2.22 -1.76 -136.11 3 9 -2 165 341.345 8
Lo Low (pH 4.5-6) -1.85 0.2 -65.08 4 9 -1 158 342.353 7

Activity (Go SEA)

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