UCSF

ZINC49332829

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 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) 0.17 4.99 -56.28 3 6 1 86 275.332 6
Mid Mid (pH 6-8) 0.17 2.7 -17.09 2 6 0 85 274.324 6

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Rings

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