UCSF

ZINC57815882

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 20 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
Mid Mid (pH 6-8) 4.70 7.99 -5.97 3 3 0 55 348.269 1
Lo Low (pH 4.5-6) 3.95 8.28 -5.42 2 3 0 53 348.269 1

Activity (Go SEA)

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