UCSF

ZINC38003583

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 No

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Annotations

None

Vendors

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) 1.18 2.26 -55.07 4 5 1 75 290.265 6
Hi High (pH 8-9.5) 1.37 -0.76 -46.79 2 5 -1 77 288.249 6
Hi High (pH 8-9.5) 1.18 0.91 -13.11 3 5 0 70 289.257 6

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