UCSF

ZINC42448126

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.48 5.32 -6.68 2 4 0 66 204.277 4
Mid Mid (pH 6-8) 1.48 5.79 -35.54 3 4 1 67 205.285 4

Activity (Go SEA)

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