UCSF

ZINC16601743

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 31 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) 3.71 10.82 -17.23 1 8 0 106 433.855 6
Lo Low (pH 4.5-6) 3.71 11.1 -56.38 2 8 1 107 434.863 6

Activity (Go SEA)

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