UCSF

ZINC48967034

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) 1.43 8.15 -8.64 1 5 0 60 268.32 4
Lo Low (pH 4.5-6) 1.43 8.61 -32.49 2 5 1 61 269.328 4

Activity (Go SEA)

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