UCSF

ZINC07391922

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2006 28 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) 3.21 9.48 -19.79 2 6 0 76 414.918 7
Lo Low (pH 4.5-6) 3.21 9.97 -49.3 3 6 1 77 415.926 7

Activity (Go SEA)

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