UCSF

ZINC43974057

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.68 8.92 -98.71 3 2 2 21 242.451 7
Hi High (pH 8-9.5) 3.68 7.92 -26.84 2 2 1 16 241.443 7
Hi High (pH 8-9.5) 3.68 7.05 -34.18 2 2 1 20 241.443 7

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