UCSF

ZINC41653470

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 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) 4.36 8.45 -7.62 0 4 0 43 365.404 2
Mid Mid (pH 6-8) 4.36 11.43 -47.82 1 4 1 44 366.412 2

Activity (Go SEA)

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