UCSF

ZINC35776869

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 3.09 4.39 -34.27 2 3 1 29 239.383 2
Mid Mid (pH 6-8) 3.09 6.04 -110.31 3 3 2 30 240.391 2

Activity (Go SEA)

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