UCSF

ZINC05219178

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 29 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) 3.49 -3.54 -39.92 4 9 1 117 400.507 8
Lo Low (pH 4.5-6) 3.49 -3.21 -97.39 5 9 2 118 401.515 8

Activity (Go SEA)

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