UCSF

ZINC34581383

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 No

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Annotations

Vendors

    None

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) -2.07 -0.89 -43.67 6 6 0 124 236.227 3
Hi High (pH 8-9.5) -2.07 -1.17 -48.86 5 6 -1 122 235.219 3

Activity (Go SEA)

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