UCSF

ZINC49480203

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.71 7.38 -39.6 4 5 1 68 264.397 4
Mid Mid (pH 6-8) 1.71 7.82 -76.2 5 5 2 70 265.405 4

Activity (Go SEA)

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