UCSF

ZINC49238137

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 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) 1.06 2.63 -14.08 4 8 0 126 312.38 4
Mid Mid (pH 6-8) 0.13 1.9 -42.66 3 8 -1 125 311.372 5
Lo Low (pH 4.5-6) 1.06 3.13 -37.62 5 8 1 127 313.388 4

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

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