UCSF

ZINC12021045

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 1.64 1.65 -17.07 0 8 0 85 449.507 5

Activity (Go SEA)

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