UCSF

ZINC39988449

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 27 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) -1.88 -0.77 -92.31 6 9 2 124 390.525 4
Hi High (pH 8-9.5) -1.88 -1.1 -47.8 5 9 1 122 389.517 4

Activity (Go SEA)

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