UCSF

ZINC25499641

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 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) 5.84 15.37 -13.37 2 8 0 113 442.475 7
Hi High (pH 8-9.5) 6.30 13.93 -46.96 1 8 -1 116 441.467 7

Activity (Go SEA)

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