UCSF

ZINC12039187

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 4.25 -1.06 -51.47 2 5 1 56 480.679 5

Activity (Go SEA)

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