UCSF

ZINC13328008

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 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) 1.05 0.65 -13.23 2 5 0 80 236.223 2

Activity (Go SEA)

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