UCSF

ZINC83315709

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2013 13 Yes

CAS Number: 1260641-20-0

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) 2.82 4.99 -4.35 2 2 0 28 174.247 3
Lo Low (pH 4.5-6) 2.82 5.44 -36.33 3 2 1 32 175.255 3

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Analogs ( Draw Identity 99% 90% 80% 70% )

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