UCSF

ZINC13631025

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 33 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) 3.33 6.7 -40.37 4 8 0 116 452.555 12

Activity (Go SEA)

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