UCSF

ZINC59203675

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 20 No

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Annotations

Vendors

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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) 5.29 10.17 -107.11 4 2 2 32 284.532 11
Hi High (pH 8-9.5) 5.29 8.06 -42.23 3 2 1 31 283.524 11
Mid Mid (pH 6-8) 5.29 9.65 -33.12 3 2 1 30 283.524 11

Activity (Go SEA)

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