UCSF

ZINC28182451

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 30 No

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) 4.39 12.5 -34.83 1 5 0 63 402.494 3
Mid Mid (pH 6-8) 4.39 11.7 -45.71 2 5 1 60 403.502 3

Activity (Go SEA)

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