UCSF

ZINC12402548

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 14 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) 0.62 -1.28 -37.9 0 4 -1 62 192.194 0
Lo Low (pH 4.5-6) 0.44 0.4 -6.04 1 4 0 55 193.202 0

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

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