UCSF

ZINC54243707

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2010 18 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) 1.73 9.24 -169.74 4 3 3 25 256.458 5
Mid Mid (pH 6-8) 1.73 8 -73.32 3 3 2 21 255.45 5
Mid Mid (pH 6-8) 1.73 6.85 -97.94 3 3 2 24 255.45 5

Activity (Go SEA)

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