UCSF

ZINC38600041

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 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) 3.80 10.65 -41.5 1 1 1 4 258.772 1
Mid Mid (pH 6-8) 3.80 8.24 -2.79 0 1 0 3 257.764 1

Activity (Go SEA)

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