UCSF

ZINC40097558

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 33 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) 5.85 12.06 -58.87 0 6 -1 83 446.523 10
Mid Mid (pH 6-8) 5.85 11.32 -11.26 1 6 0 80 447.531 10

Activity (Go SEA)

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