UCSF

ZINC13213001

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 18 Yes

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) 3.31 2.76 -13.54 0 4 0 52 253.286 0
Lo Low (pH 4.5-6) 3.31 3.05 -39.94 1 4 1 53 254.294 0

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

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