UCSF

ZINC08579006

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2007 19 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) 3.85 7.07 -11.57 3 4 0 65 314.197 3
Ref Reference (pH 7) 4.34 7.2 -13.09 3 4 0 64 314.197 4

Activity (Go SEA)

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