UCSF

ZINC40020082

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 38 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) 4.93 11.51 -82.71 2 8 0 104 524.658 15
Lo Low (pH 4.5-6) 4.93 10.76 -60.77 3 8 1 101 525.666 15

Activity (Go SEA)

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