UCSF

ZINC22165920

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 2.70 6.31 -47.52 3 2 1 31 235.395 8
Hi High (pH 8-9.5) 2.69 7.97 -28 3 2 1 30 235.395 8
Hi High (pH 8-9.5) 2.69 6.34 -1.66 2 2 0 29 234.387 8
Mid Mid (pH 6-8) 2.70 8.24 -121.25 4 2 2 32 236.403 8

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