UCSF

ZINC03906254

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 23 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) 5.08 1.16 -8.97 1 4 0 42 323.783 3
Mid Mid (pH 6-8) 1.34 1.34 -28.6 2 4 1 45 324.791 3

Activity (Go SEA)

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