UCSF

ZINC34303655

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 25 No

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) 1.12 -2.18 -39.96 5 8 1 125 365.435 7
Mid Mid (pH 6-8) 1.12 -2.09 -58.19 3 8 -1 127 363.419 7
Mid Mid (pH 6-8) 1.12 -2.51 -13.27 4 8 0 124 364.427 7
Mid Mid (pH 6-8) 1.12 -2.65 -14.38 4 8 0 124 364.427 7

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

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