UCSF

ZINC20358343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 27 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) 0.68 6.87 -178.23 0 8 -3 138 391.356 7
Lo Low (pH 4.5-6) 0.22 6.83 -48.98 2 8 -1 132 393.372 7

Activity (Go SEA)

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