UCSF

ZINC38635341

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 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) 6.39 12.56 -9.56 2 5 0 71 450.325 4
Hi High (pH 8-9.5) 8.11 12.8 -59.78 1 5 -1 77 449.317 4

Activity (Go SEA)

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