UCSF

ZINC31554019

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 13 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) -4.51 -3.85 -64.07 5 7 -1 148 212.118 5
Hi High (pH 8-9.5) -4.51 -3 -193.63 3 7 -3 150 210.102 5
Mid Mid (pH 6-8) -4.51 -2.72 -140.9 4 7 -2 151 211.11 5

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

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