UCSF

ZINC31920708

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 3.82 8.85 -12.46 0 3 0 27 272.735 3
Lo Low (pH 4.5-6) 3.82 9.27 -27.85 1 3 1 28 273.743 3

Activity (Go SEA)

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