UCSF

ZINC13423791

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 29 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) 1.15 7.78 -25.15 1 10 0 118 414.399 5
Hi High (pH 8-9.5) 1.61 5.72 -54.69 0 10 -1 121 413.391 5

Activity (Go SEA)

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