UCSF

ZINC37224727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 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) 2.43 4.14 -50.1 3 3 1 46 245.705 4
Hi High (pH 8-9.5) 2.43 3.06 -9.81 2 3 0 41 244.697 4

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Rings

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