UCSF

ZINC06147991

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 24 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) 3.49 4.5 -14.32 3 5 0 71 427.242 5
Hi High (pH 8-9.5) 3.49 5 -40.3 2 5 -1 73 426.234 5

Activity (Go SEA)

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