UCSF

ZINC43423078

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 1.73 6.4 -43.67 4 5 1 81 250.37 7
Mid Mid (pH 6-8) 1.73 6.75 -86.51 5 5 2 82 251.378 7

Activity (Go SEA)

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