UCSF

ZINC39326797

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 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) 5.46 11.95 -11.55 0 4 0 39 419.565 7
Lo Low (pH 4.5-6) 5.46 14.19 -40.89 1 4 1 40 420.573 7

Activity (Go SEA)

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