UCSF

ZINC08396055

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 33 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) 7.50 16.33 -15.61 0 5 0 56 518.436 2
Ref Reference (pH 7) 7.50 14.94 -15.16 0 5 0 56 518.436 2

Activity (Go SEA)

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