UCSF

ZINC34951249

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) -5.43 -0.37 -230.26 5 16 -2 252 455.213 6
Hi High (pH 8-9.5) -5.31 -2.47 -257.79 4 16 -3 255 454.205 6
Hi High (pH 8-9.5) -5.31 -2.38 -257.63 4 16 -3 255 454.205 6
Mid Mid (pH 6-8) -5.43 -1.57 -123.08 6 16 -1 249 456.221 6
Mid Mid (pH 6-8) -5.43 -1.53 -123.42 6 16 -1 249 456.221 6

Activity (Go SEA)

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