UCSF

ZINC60481246

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 19 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) 1.38 5.62 -31.55 2 5 1 60 260.317 3
Hi High (pH 8-9.5) 1.38 6.33 -67.22 0 5 -1 61 258.301 3
Mid Mid (pH 6-8) 1.38 5.43 -20.32 1 5 0 58 259.309 3

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

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