UCSF

ZINC37216918

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 3.70 7.65 -33.01 2 2 1 20 249.422 7
Mid Mid (pH 6-8) 3.70 9.58 -109.07 3 2 2 21 250.43 7

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Rings

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