UCSF

ZINC44516842

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 0.80 4.24 -42.22 4 5 1 60 238.359 3
Mid Mid (pH 6-8) 0.80 4.37 -75.53 5 5 2 62 239.367 3

Activity (Go SEA)

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