UCSF

ZINC48931114

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) 2.44 3.7 -10.46 2 5 0 71 272.304 4
Hi High (pH 8-9.5) 2.44 4.7 -55.24 1 5 -1 74 271.296 4
Lo Low (pH 4.5-6) 2.44 3.87 -38.8 3 5 1 73 273.312 4

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

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