UCSF

ZINC77265860

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2012 23 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) 2.42 3.57 -7.03 0 5 0 44 314.385 5
Mid Mid (pH 6-8) 2.42 5.54 -47.21 1 5 1 45 315.393 5

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

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