UCSF

ZINC20745622

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 2.52 3.9 -12.92 2 7 0 89 394.818 2
Ref Reference (pH 7) 2.34 6.3 -11.87 2 7 0 85 394.818 2

Activity (Go SEA)

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