UCSF

ZINC41663087

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) 3.31 7.65 -8.94 0 5 0 46 362.429 3
Mid Mid (pH 6-8) 3.31 10.61 -43.33 1 5 1 47 363.437 3
Lo Low (pH 4.5-6) 3.31 11.37 -110.97 2 5 0 48 364.445 3

Activity (Go SEA)

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