UCSF

ZINC37853197

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.67 4.56 -103.45 4 5 2 60 292.464 14
Mid Mid (pH 6-8) 0.67 2.41 -42.37 3 5 1 59 291.456 14

Activity (Go SEA)

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