UCSF

ZINC37336472

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 4.59 10.8 -33.56 1 2 1 22 262.417 7
Hi High (pH 8-9.5) 4.59 9.12 -5.94 0 2 0 20 261.409 7

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Rings

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