UCSF

ZINC04775673

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) 1.82 5.45 -42 2 1 1 17 168.285 4
Hi High (pH 8-9.5) 1.82 5.99 -44.19 2 1 0 17 167.277 4

Activity (Go SEA)

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