UCSF

ZINC37326188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 0.99 1.11 -42.65 1 8 -1 124 289.289 6
Mid Mid (pH 6-8) 0.99 0.13 -15.23 2 8 0 121 290.297 6

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Rings

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