UCSF

ZINC36626694

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) 3.68 3.66 -12.38 3 7 0 115 367.155 4
Hi High (pH 8-9.5) 3.68 5.43 -94.14 1 7 -2 121 365.139 4
Mid Mid (pH 6-8) 3.68 4.42 -35.98 2 7 -1 118 366.147 4

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