UCSF

ZINC26380149

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 27 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) 0.53 -1.37 -146.4 4 11 -2 183 405.344 9
Mid Mid (pH 6-8) 0.53 -2.57 -59.36 5 11 -1 180 406.352 9
Lo Low (pH 4.5-6) 0.53 -1.41 -65.63 6 11 0 181 407.36 9

Activity (Go SEA)

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