UCSF

ZINC41107887

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 36 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) 5.48 20.14 -21.21 0 6 0 61 512.708 8

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