UCSF

ZINC40165621

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 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) 2.81 6.82 -45.54 0 4 -1 62 250.661 2
Mid Mid (pH 6-8) 2.81 7.15 -35.38 1 4 0 63 251.669 2

Activity (Go SEA)

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