UCSF

ZINC66996044

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 17 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) 1.63 2.55 -42.36 3 4 1 55 240.323 6

Activity (Go SEA)

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