UCSF

ZINC66249852

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 21 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) 3.37 4.6 -14.78 1 6 0 80 322.415 2
Mid Mid (pH 6-8) 2.44 4.24 -50 0 6 -1 79 321.407 3

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

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