UCSF

ZINC34388371

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 37 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) 4.23 16.06 -37.6 2 6 0 94 500.639 7
Hi High (pH 8-9.5) 4.23 15.1 -47.31 1 6 -1 90 499.631 7

Activity (Go SEA)

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