UCSF

ZINC06894389

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 24 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) 3.52 8.35 -46.6 3 5 0 82 344.798 6
Mid Mid (pH 6-8) 3.52 6.97 -52.9 2 5 -1 77 343.79 6

Activity (Go SEA)

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