UCSF

ZINC58552084

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 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) 1.20 2.25 -8.42 3 3 0 55 271.158 5

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Rings

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