UCSF

ZINC12054598

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2008 29 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) 3.07 1.34 -44.21 1 5 1 45 400.587 9

Activity (Go SEA)

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