UCSF

ZINC13682726

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 34 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) 4.54 8.07 -13.58 1 7 0 78 455.514 6
Ref Reference (pH 7) 4.36 10.5 -12.14 1 7 0 75 455.514 6

Activity (Go SEA)

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