UCSF

ZINC27200194

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 52 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) 6.63 16.6 -307.99 11 8 5 115 704.044 23
Hi High (pH 8-9.5) 6.63 14.34 -151.51 9 8 3 113 702.028 23
Hi High (pH 8-9.5) 6.63 13.94 -117.04 8 8 2 112 701.02 23
Hi High (pH 8-9.5) 6.63 14.74 -192.96 10 8 4 114 703.036 23
Mid Mid (pH 6-8) 6.63 18.57 -454.41 12 8 6 116 705.052 23
Mid Mid (pH 6-8) 6.63 18.19 -330.93 11 8 5 115 704.044 23

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