UCSF

ZINC31945471

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 2.66 8.33 -39.97 4 4 1 60 314.434 6
Hi High (pH 8-9.5) 2.66 5.98 -17.29 3 4 0 58 313.426 6

Activity (Go SEA)

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