UCSF

ZINC43253061

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.11 2.82 -31.35 4 3 1 51 277.841 7
Hi High (pH 8-9.5) 2.11 1.63 -44.31 4 3 1 51 277.841 7
Hi High (pH 8-9.5) 2.11 1.18 -3.13 3 3 0 49 276.833 7
Mid Mid (pH 6-8) 2.11 3.15 -109.73 5 3 2 52 278.849 7

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