UCSF

ZINC37240177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 Yes

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) 1.77 4.08 -36.43 2 3 1 29 227.372 5
Mid Mid (pH 6-8) 1.77 6.31 -98.85 3 3 2 30 228.38 5

Activity (Go SEA)

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