UCSF

ZINC20827655

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 22 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) 3.45 11.15 -118.29 3 2 2 21 300.421 5
Mid Mid (pH 6-8) 3.45 9.87 -39.04 2 2 1 16 299.413 5
Lo Low (pH 4.5-6) 3.45 8.9 -44.8 2 2 1 20 299.413 5

Activity (Go SEA)

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