UCSF

ZINC13551322

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 No

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Annotations

Vendors

    None

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) -2.01 0.96 -57.47 6 10 0 182 444.44 1
Hi High (pH 8-9.5) -2.01 0.45 -148.24 4 10 -2 184 442.424 1
Hi High (pH 8-9.5) -1.27 -0.13 -67.26 5 10 -1 181 443.432 2
Hi High (pH 8-9.5) -1.27 0.88 -130.72 4 10 -2 184 442.424 2
Hi High (pH 8-9.5) -1.27 2.31 -126.19 5 10 -1 185 443.432 2
Mid Mid (pH 6-8) -2.01 -0.54 -74.19 5 10 -1 181 443.432 1
Mid Mid (pH 6-8) -1.27 1.3 -74 6 10 0 182 444.44 2
Lo Low (pH 4.5-6) -1.27 -1.1 -65.55 7 10 1 180 445.448 2

Activity (Go SEA)

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