UCSF

ZINC44518888

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 15 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) 0.45 5.73 -171.2 5 3 3 37 214.377 3
Mid Mid (pH 6-8) 0.45 3.55 -83.59 4 3 2 35 213.369 3

Activity (Go SEA)

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