UCSF

ZINC39124430

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 22 Yes

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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) -0.29 2.73 -19.2 2 8 0 110 302.29 0
Hi High (pH 8-9.5) -0.29 4.3 -64 1 8 -1 113 301.282 0
Hi High (pH 8-9.5) -0.29 4.96 -146.27 0 8 -2 116 300.274 0

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