UCSF

ZINC39744980

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 28 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) 2.91 3.15 -24.21 2 8 0 106 400.822 7
Hi High (pH 8-9.5) 2.98 1.01 -65.71 1 8 -1 113 399.814 7

Activity (Go SEA)

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