UCSF

ZINC40267754

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 32 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) 3.08 9.31 -13.52 1 9 0 103 431.5 5
Ref Reference (pH 7) 2.89 11.96 -12.49 1 9 0 99 431.5 5

Activity (Go SEA)

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