UCSF

ZINC37095272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.75 7.36 -41.95 1 4 0 58 211.261 6
Hi High (pH 8-9.5) 1.75 5.14 -50.06 0 4 -1 57 210.253 6

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Rings

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