UCSF

ZINC04775636

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 11 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) 2.60 -1.41 -39.7 2 1 1 16 174.333 4
Hi High (pH 8-9.5) 2.60 -2.37 -52.83 2 1 0 16 173.325 4

Activity (Go SEA)

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