UCSF

ZINC70202281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 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) 1.05 4.8 -87.53 5 5 2 70 281.4 9
Hi High (pH 8-9.5) 1.05 2.27 -50.46 4 5 1 69 280.392 9

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Rings

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