UCSF

ZINC04850565

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 26 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) 0.88 5.97 -45.42 3 7 1 83 359.45 7
Hi High (pH 8-9.5) 1.07 4.66 -47.27 2 7 0 89 358.442 7

Activity (Go SEA)

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