UCSF

ZINC59214281

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 35 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) 6.13 15.55 -60.16 3 9 0 139 523.648 27
Hi High (pH 8-9.5) 6.13 15.16 -52.39 2 9 -1 137 522.64 27

Activity (Go SEA)

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