UCSF

ZINC43629547

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 16 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) 1.86 7.3 -43.51 1 3 1 31 230.234 5
Mid Mid (pH 6-8) 1.86 5.06 -8.53 0 3 0 30 229.226 5

Activity (Go SEA)

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