UCSF

ZINC59811842

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 14 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) 3.16 4.03 -43.46 3 2 1 37 235.134 3
Mid Mid (pH 6-8) 3.16 4.8 -53.73 2 2 0 40 234.126 3

Activity (Go SEA)

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