UCSF

ZINC20890233

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 23 No

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Annotations

None

Vendors

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) -2.27 5.23 -43 3 6 1 86 332.405 3
Mid Mid (pH 6-8) 1.46 4.34 -21.28 2 6 0 84 331.397 3

Activity (Go SEA)

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