UCSF

ZINC59090748

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 17 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) 4.37 9.7 -115.46 3 2 2 21 244.467 11
Hi High (pH 8-9.5) 4.37 9.87 -29.89 2 2 1 16 243.459 11
Mid Mid (pH 6-8) 4.37 7.75 -34.74 2 2 1 20 243.459 11

Activity (Go SEA)

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