UCSF

ZINC43418734

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.04 8.25 -10.41 2 4 0 55 280.441 7
Mid Mid (pH 6-8) 2.04 8.9 -34.23 3 4 1 56 281.449 7

Activity (Go SEA)

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