UCSF

ZINC19876681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 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) 1.59 6.51 -39.42 2 3 1 43 261.128 3
Mid Mid (pH 6-8) 1.59 5.2 -10.55 1 3 0 38 260.12 3

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