UCSF

ZINC05452264

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 19 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) 1.12 3.82 -14.62 1 4 0 49 272.226 2
Ref Reference (pH 7) 1.12 3.82 -14.67 1 4 0 49 272.226 2

Activity (Go SEA)

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