UCSF

ZINC40068441

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 31 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) 3.97 10.35 -64.45 0 7 -1 92 426.489 11
Mid Mid (pH 6-8) 3.97 9.46 -17.15 1 7 0 89 427.497 11

Activity (Go SEA)

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