UCSF

ZINC28650926

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 17 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) 0.81 7.62 -72.72 0 4 -1 62 228.227 2
Mid Mid (pH 6-8) 0.81 6.73 -31.42 1 4 0 65 229.235 2

Activity (Go SEA)

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