UCSF

ZINC41510832

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 4.38 10.47 -42.3 2 4 1 55 368.428 3
Mid Mid (pH 6-8) 4.38 11.05 -27.79 1 4 0 58 367.42 3

Activity (Go SEA)

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