UCSF

ZINC20125858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.33 5.93 -116.35 4 3 2 41 293.238 5
Hi High (pH 8-9.5) 3.33 4.92 -28.26 2 3 0 43 291.222 5
Mid Mid (pH 6-8) 3.33 4.93 -30.84 3 3 1 37 292.23 5

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Rings

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