UCSF

ZINC37819847

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 1.77 4.54 -43.94 3 4 1 61 304.208 5
Mid Mid (pH 6-8) 1.77 4.27 -9.91 2 4 0 59 303.2 5

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Rings

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