UCSF

ZINC37306628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 4.92 8.84 -45.92 3 2 1 31 303.392 9
Hi High (pH 8-9.5) 4.92 8.59 -3.79 2 2 0 29 302.384 9

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Rings

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