UCSF

ZINC05043453

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 29 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) 0.55 -1.22 -54.42 2 8 1 97 398.439 7
Mid Mid (pH 6-8) -0.04 -1.39 -63.15 1 8 1 94 398.439 7
Lo Low (pH 4.5-6) 0.55 -1.1 -101.44 3 8 2 98 399.447 7
Lo Low (pH 4.5-6) -0.04 -1.28 -115.24 2 8 2 95 399.447 7

Activity (Go SEA)

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