UCSF

ZINC22129824

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 34 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) 4.18 8.4 -17.02 2 6 0 101 476.585 7
Hi High (pH 8-9.5) 4.18 9.16 -66.13 1 6 -1 104 475.577 7

Activity (Go SEA)

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