UCSF

ZINC43079035

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 25 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) 4.27 7.62 -10.75 2 5 0 82 401.26 5
Hi High (pH 8-9.5) 4.27 8.54 -48.24 1 5 -1 85 400.252 5

Activity (Go SEA)

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