UCSF

ZINC42449514

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.23 7.01 -40.76 1 3 1 41 207.297 5
Mid Mid (pH 6-8) 1.23 5.24 -8.49 0 3 0 40 206.289 5

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Rings

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