UCSF

ZINC05093621

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 31 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) 3.70 7.24 -16.35 3 7 0 99 409.449 4
Hi High (pH 8-9.5) 4.61 5.78 -55.5 2 7 -1 105 408.441 4
Hi High (pH 8-9.5) 4.15 5.38 -55.69 2 7 -1 102 408.441 4

Activity (Go SEA)

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