UCSF

ZINC33828172

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 24 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) 2.19 5.55 -10.57 1 6 0 73 324.336 4
Hi High (pH 8-9.5) 2.65 3.78 -47.2 0 6 -1 76 323.328 4

Activity (Go SEA)

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