UCSF

ZINC04157040

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 35 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) 6.66 3.08 -22.14 1 6 0 64 463.537 8
Mid Mid (pH 6-8) 6.66 3.21 -29.57 2 6 1 66 464.545 8

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