UCSF

ZINC13538980

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 No

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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) -1.56 -0.67 -142.33 3 11 -2 172 329.209 4
Lo Low (pH 4.5-6) -1.56 -0.41 -148.61 4 11 -1 173 330.217 4
Lo Low (pH 4.5-6) -1.56 -4.79 -146.56 4 11 -1 173 330.217 4

Activity (Go SEA)

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