UCSF

ZINC42437038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 17 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) 1.67 4.56 -48.28 4 4 1 63 240.302 5
Mid Mid (pH 6-8) 1.67 2.51 -6.44 3 4 0 62 239.294 5

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Rings

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