UCSF

ZINC43984798

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.24 4.04 -37.82 2 3 1 29 239.383 2
Mid Mid (pH 6-8) 2.24 5.85 -113.09 3 3 2 30 240.391 2

Activity (Go SEA)

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