UCSF

ZINC39289387

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 26 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) 1.99 5.55 -14.44 3 5 0 70 351.45 6
Mid Mid (pH 6-8) 1.99 6.98 -40.31 4 5 1 75 352.458 6

Activity (Go SEA)

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