UCSF

ZINC20175526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 28 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) 5.58 9.06 -17.45 2 5 0 71 439.309 6
Hi High (pH 8-9.5) 5.58 9.97 -54.2 1 5 -1 74 438.301 6

Activity (Go SEA)

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