UCSF

ZINC40183991

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 33 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) 4.07 12.75 -12.64 0 6 0 60 442.563 8
Mid Mid (pH 6-8) 4.07 13.59 -36.76 1 6 1 62 443.571 8

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