UCSF

ZINC40123379

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 4.27 7.37 -57.07 1 5 -1 78 378.448 5
Lo Low (pH 4.5-6) 4.27 6.61 -12.95 2 5 0 76 379.456 5

Activity (Go SEA)

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