UCSF

ZINC37004778

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

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) 3.24 7.88 -7.78 1 4 0 45 340.265 4
Mid Mid (pH 6-8) 3.24 8.21 -32.17 2 4 1 46 341.273 4

Activity (Go SEA)

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