UCSF

ZINC39917039

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 32 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) 5.45 11.8 -10.71 0 5 0 40 435.612 9
Mid Mid (pH 6-8) 5.45 12.51 -29 1 5 1 41 436.62 9

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