UCSF

ZINC08608791

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2007 23 Yes

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) 3.77 11.54 -44.32 2 4 1 42 319.379 4
Hi High (pH 8-9.5) 3.77 9.55 -5.33 1 4 0 41 318.371 4

Activity (Go SEA)

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