UCSF

ZINC48441393

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 17 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) 0.55 2.25 -43.02 3 5 1 67 256.351 3
Mid Mid (pH 6-8) 0.37 1.66 -33.32 2 5 0 73 255.343 3

Activity (Go SEA)

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