UCSF

ZINC95913223

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2014 36 Yes

CAS Number: 220127-57-1

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) 3.24 11.32 -48.63 2 7 1 75 479.608 7
Hi High (pH 8-9.5) 3.24 8.95 -14.24 1 7 0 74 478.6 7
Lo Low (pH 4.5-6) 3.24 11.81 -96.06 3 7 2 77 480.616 7

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