UCSF

ZINC06554159

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 28 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) 4.33 10.42 -11.32 1 4 0 58 409.894 5
Mid Mid (pH 6-8) 3.75 11.08 -17.56 0 4 0 54 409.894 5

Activity (Go SEA)

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