UCSF

ZINC34377971

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 35 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) -1.37 8.52 -91.14 3 13 -1 210 484.397 7
Hi High (pH 8-9.5) -1.37 6.71 -123.05 2 13 -2 205 483.389 7
Hi High (pH 8-9.5) -1.37 7.55 -147.64 2 13 -2 205 483.389 7
Mid Mid (pH 6-8) -1.37 6.53 -68.12 4 13 0 207 485.405 7

Activity (Go SEA)

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