UCSF

ZINC39917589

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 26 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) 4.67 10.37 -9.21 0 4 0 30 355.526 7
Mid Mid (pH 6-8) 4.67 12.63 -47.73 1 4 1 31 356.534 7
Mid Mid (pH 6-8) 4.67 10.8 -30.62 1 4 1 32 356.534 7
Mid Mid (pH 6-8) 4.67 13.06 -99.8 2 4 2 33 357.542 7

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