UCSF

ZINC39908941

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.93 7.02 -10.8 1 6 0 80 495.123 2
Hi High (pH 8-9.5) 3.93 7.94 -47.67 0 6 -1 83 494.115 2

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