UCSF

ZINC41679953

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) -1.27 3.02 -14.1 3 5 0 81 250.298 7
Mid Mid (pH 6-8) -1.27 3.34 -50.73 4 5 1 83 251.306 7

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Rings

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