UCSF

ZINC37816034

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.25 2.3 -41.74 5 5 1 91 282.339 6
Hi High (pH 8-9.5) 1.25 1.95 -12.26 4 5 0 89 281.331 6

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Rings

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