UCSF

ZINC31718533

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.33 7.56 -16.62 3 7 0 95 452.599 7
Mid Mid (pH 6-8) 5.33 7.83 -50.42 4 7 1 96 453.607 7

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