UCSF

ZINC37240656

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 2.35 6.18 -38.09 2 3 1 26 249.378 5
Mid Mid (pH 6-8) 2.35 5.11 -37.99 2 3 1 29 249.378 5
Mid Mid (pH 6-8) 2.35 7.35 -106.5 3 3 2 30 250.386 5

Activity (Go SEA)

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