UCSF

ZINC41718265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 23 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) 1.15 3.89 -37.35 3 6 1 66 339.847 6
Hi High (pH 8-9.5) 1.15 1.61 -6.2 2 6 0 65 338.839 6
Mid Mid (pH 6-8) 1.15 3.88 -41.48 3 6 1 66 339.847 6

Activity (Go SEA)

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