UCSF

ZINC39376490

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 21 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) -2.81 2.32 -76.84 5 7 0 126 337.467 11
Hi High (pH 8-9.5) -2.81 1.89 -50.61 4 7 -1 124 336.459 11

Activity (Go SEA)

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