UCSF

ZINC12081206

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 28 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) 4.92 10.27 -9.29 1 5 0 59 441.742 6
Hi High (pH 8-9.5) 5.11 8.74 -33.41 0 5 -1 65 440.734 6

Activity (Go SEA)

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