UCSF

ZINC41653329

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

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Annotations

None

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) 3.62 6.32 -9.53 0 6 0 55 440.927 5
Mid Mid (pH 6-8) 3.62 8.58 -48.83 1 6 1 56 441.935 5

Activity (Go SEA)

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