UCSF

ZINC19707263

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 28 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) 2.03 6.1 -101.7 0 8 -2 124 378.34 5
Lo Low (pH 4.5-6) 1.57 8.54 -52.03 1 8 -1 121 379.348 5

Activity (Go SEA)

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