UCSF

ZINC13440183

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 30 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) 4.38 12.85 -39.77 3 4 1 49 398.53 6

Activity (Go SEA)

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