UCSF

ZINC91368904

Substance Information

In ZINC since Heavy atoms Benign functionality
June 1st, 2013 12 Yes

CAS Number: 2785-87-7

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) 1.39 3.08 -4.81 1 2 0 29 166.22 3

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No pre-computed analogs available. Try a structural similarity search.