UCSF

ZINC87491419

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 23 No

CAS Number: [2137-18-0]

Other Names:

MFCD03695613

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) 2.62 7.58 -11.19 1 3 0 54 316.441 1

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