UCSF

ZINC37825546

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -2.04 6.58 -59.83 3 5 1 96 271.344 7
Hi High (pH 8-9.5) -2.04 6.22 -17.58 2 5 0 94 270.336 7

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Rings

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