UCSF

ZINC41534752

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 34 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) 1.88 7.17 -56.3 1 10 -1 135 467.502 7
Mid Mid (pH 6-8) 1.88 9.43 -75.08 2 10 0 136 468.51 7
Lo Low (pH 4.5-6) 1.88 8.67 -64.9 3 10 1 133 469.518 7

Activity (Go SEA)

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