UCSF

ZINC06410808

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 25 No

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Annotations

None

Vendors

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) 4.27 8.27 -11.27 1 5 0 71 377.227 5
Hi High (pH 8-9.5) 4.46 6.59 -41.52 0 5 -1 78 376.219 5

Activity (Go SEA)

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