UCSF

ZINC12081193

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 27 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) 4.65 9.31 -10.33 1 5 0 59 448.133 4
Hi High (pH 8-9.5) 4.84 7.78 -31.21 0 5 -1 65 447.125 4

Activity (Go SEA)

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