UCSF

ZINC35773381

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 0.45 2.17 -47.37 3 4 1 53 208.285 2
Mid Mid (pH 6-8) 0.45 2.63 -100.57 4 4 2 54 209.293 2

Activity (Go SEA)

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