UCSF

ZINC13380865

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 29 No

CAS Number: [53851-13-1]

Other Names:

MFCD20260496

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) 2.21 7.33 -53.2 2 7 1 78 399.467 3

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