UCSF

ZINC22102719

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 32 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) 3.71 8.69 -57.67 2 7 1 76 428.516 4
Mid Mid (pH 6-8) 3.71 6.23 -12.5 1 7 0 74 427.508 4

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