UCSF

ZINC37103163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.29 5.69 -7.72 2 5 0 67 294.326 6
Lo Low (pH 4.5-6) 2.29 6.64 -44.41 3 5 1 72 295.334 6

Activity (Go SEA)

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