UCSF

ZINC12370966

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 28 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) 5.73 7.46 -26.11 2 5 1 66 374.416 4
Ref Reference (pH 7) 5.73 7 -26.78 2 5 1 66 374.416 4

Activity (Go SEA)

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