UCSF

ZINC40139118

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 35 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) 2.70 7.92 -16.55 2 9 0 123 467.485 5

Activity (Go SEA)

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