UCSF

ZINC40015382

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 27 No

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Annotations

Vendors

    None

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) -3.22 7.12 -28.51 2 8 1 88 367.433 2
Mid Mid (pH 6-8) -3.22 9.33 -81.16 3 8 2 89 368.441 2

Activity (Go SEA)

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