UCSF

ZINC22527545

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 30 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) 4.13 9.41 -24.96 1 9 0 116 449.872 8
Hi High (pH 8-9.5) 4.32 8.35 -44.91 0 9 -1 122 448.864 8

Activity (Go SEA)

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